tert-butyl N-methyl-N-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)carbamate;tert-butyl N-methyl-N-(1-methyl-3-pyrimidin-5-ylpyrazol-5-yl)carbamate;3-tert-butyl-1-methyl-1-(3-methyl-1-pyrimidin-5-ylpyrazol-4-yl)urea;tert-butyl N-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)carbamate;tert-butyl N-methyl-N-[1-pyridin-3-yl-3-(trifluoromethyl)pyrazol-4-yl]carbamate;tert-butyl N-methyl-N-[1-pyrimidin-5-yl-3-(trifluoromethyl)pyrazol-4-yl]carbamate;tert-butyl N-[1-pyridin-3-yl-3-(trifluoromethyl)pyrazol-4-yl]carbamate;tert-butyl N-[1-pyrimidin-5-yl-3-(trifluoromethyl)pyrazol-4-yl]carbamate

C113H139F12N37O15 — CID 157286162

IUPACtert-butyl N-methyl-N-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)carbamate;tert-butyl N-methyl-N-(1-methyl-3-pyrimidin-5-ylpyrazol-5-yl)carbamate;3-tert-butyl-1-methyl-1-(3-methyl-1-pyrimidin-5-ylpyrazol-4-yl)urea;tert-butyl N-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)carbamate;tert-butyl N-methyl-N-[1-pyridin-3-yl-3-(trifluoromethyl)pyrazol-4-yl]carbamate;tert-butyl N-methyl-N-[1-pyrimidin-5-yl-3-(trifluoromethyl)pyrazol-4-yl]carbamate;tert-butyl N-[1-pyridin-3-yl-3-(trifluoromethyl)pyrazol-4-yl]carbamate;tert-butyl N-[1-pyrimidin-5-yl-3-(trifluoromethyl)pyrazol-4-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cn(-c2cccnc2)nc1C(F)(F)F.CC(C)(C)OC(=O)Nc1cn(-c2cncnc2)nc1C(F)(F)F.CN(C(=O)OC(C)(C)C)c1cc(-c2cccnc2)nn1C.CN(C(=O)OC(C)(C)C)c1cc(-c2cncnc2)nn1C.CN(C(=O)OC(C)(C)C)c1cn(-c2cccnc2)nc1C(F)(F)F.CN(C(=O)OC(C)(C)C)c1cn(-c2cncnc2)nc1C(F)(F)F.Cc1nn(-c2cncnc2)cc1N(C)C(=O)NC(C)(C)C.Cn1nc(-c2cccnc2)cc1NC(=O)OC(C)(C)C
InChIInChI=1S/C15H17F3N4O2.C15H20N4O2.C14H16F3N5O2.C14H15F3N4O2.C14H20N6O.C14H19N5O2.C14H18N4O2.C13H14F3N5O2/c1-14(2,3)24-13(23)21(4)11-9-22(10-6-5-7-19-8-10)20-12(11)15(16,17)18;1-15(2,3)21-14(20)18(4)13-9-12(17-19(13)5)11-7-6-8-16-10-11;1-13(2,3)24-12(23)21(4)10-7-22(9-5-18-8-19-6-9)20-11(10)14(15,16)17;1-13(2,3)23-12(22)19-10-8-21(9-5-4-6-18-7-9)20-11(10)14(15,16)17;1-10-12(19(5)13(21)17-14(2,3)4)8-20(18-10)11-6-15-9-16-7-11;1-14(2,3)21-13(20)18(4)12-6-11(17-19(12)5)10-7-15-9-16-8-10;1-14(2,3)20-13(19)16-12-8-11(17-18(12)4)10-6-5-7-15-9-10;1-12(2,3)23-11(22)19-9-6-21(8-4-17-7-18-5-8)20-10(9)13(14,15)16/h5-9H,1-4H3;6-10H,1-5H3;5-8H,1-4H3;4-8H,1-3H3,(H,19,22);6-9H,1-5H3,(H,17,21);6-9H,1-5H3;5-9H,1-4H3,(H,16,19);4-7H,1-3H3,(H,19,22)
InChIKeyBAGJDEYWIMOAMF-UHFFFAOYSA-N
MW2483.57 g/mol
LogP23.22
Rot. Bonds16

About tert-butyl N-methyl-N-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)carbamate;tert-butyl N-methyl-N-(1-methyl-3-pyrimidin-5-ylpyrazol-5-yl)carbamate;3-tert-butyl-1-methyl-1-(3-methyl-1-pyrimidin-5-ylpyrazol-4-yl)urea;tert-butyl N-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)carbamate;tert-butyl N-methyl-N-[1-pyridin-3-yl-3-(trifluoromethyl)pyrazol-4-yl]carbamate;tert-butyl N-methyl-N-[1-pyrimidin-5-yl-3-(trifluoromethyl)pyrazol-4-yl]carbamate;tert-butyl N-[1-pyridin-3-yl-3-(trifluoromethyl)pyrazol-4-yl]carbamate;tert-butyl N-[1-pyrimidin-5-yl-3-(trifluoromethyl)pyrazol-4-yl]carbamate

tert-butyl N-methyl-N-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)carbamate;tert-butyl N-methyl-N-(1-methyl-3-pyrimidin-5-ylpyrazol-5-yl)carbamate;3-tert-butyl-1-methyl-1-(3-methyl-1-pyrimidin-5-ylpyrazol-4-yl)urea;tert-butyl N-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)carbamate;tert-butyl N-methyl-N-[1-pyridin-3-yl-3-(trifluoromethyl)pyrazol-4-yl]carbamate;tert-butyl N-methyl-N-[1-pyrimidin-5-yl-3-(trifluoromethyl)pyrazol-4-yl]carbamate;tert-butyl N-[1-pyridin-3-yl-3-(trifluoromethyl)pyrazol-4-yl]carbamate;tert-butyl N-[1-pyrimidin-5-yl-3-(trifluoromethyl)pyrazol-4-yl]carbamate (PubChem CID 157286162) has the molecular formula C113H139F12N37O15 and a molecular weight of 2483.57 g/mol. Its IUPAC name is tert-butyl N-methyl-N-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)carbamate;tert-butyl N-methyl-N-(1-methyl-3-pyrimidin-5-ylpyrazol-5-yl)carbamate;3-tert-butyl-1-methyl-1-(3-methyl-1-pyrimidin-5-ylpyrazol-4-yl)urea;tert-butyl N-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)carbamate;tert-butyl N-methyl-N-[1-pyridin-3-yl-3-(trifluoromethyl)pyrazol-4-yl]carbamate;tert-butyl N-methyl-N-[1-pyrimidin-5-yl-3-(trifluoromethyl)pyrazol-4-yl]carbamate;tert-butyl N-[1-pyridin-3-yl-3-(trifluoromethyl)pyrazol-4-yl]carbamate;tert-butyl N-[1-pyrimidin-5-yl-3-(trifluoromethyl)pyrazol-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)carbamate;tert-butyl N-methyl-N-(1-methyl-3-pyrimidin-5-ylpyrazol-5-yl)carbamate;3-tert-butyl-1-methyl-1-(3-methyl-1-pyrimidin-5-ylpyrazol-4-yl)urea;tert-butyl N-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)carbamate;tert-butyl N-methyl-N-[1-pyridin-3-yl-3-(trifluoromethyl)pyrazol-4-yl]carbamate;tert-butyl N-methyl-N-[1-pyrimidin-5-yl-3-(trifluoromethyl)pyrazol-4-yl]carbamate;tert-butyl N-[1-pyridin-3-yl-3-(trifluoromethyl)pyrazol-4-yl]carbamate;tert-butyl N-[1-pyrimidin-5-yl-3-(trifluoromethyl)pyrazol-4-yl]carbamate
PubChem CID157286162
Molecular FormulaC113H139F12N37O15
Molecular Weight2483.57 g/mol
Exact Mass2482.11
IUPAC Nametert-butyl N-methyl-N-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)carbamate;tert-butyl N-methyl-N-(1-methyl-3-pyrimidin-5-ylpyrazol-5-yl)carbamate;3-tert-butyl-1-methyl-1-(3-methyl-1-pyrimidin-5-ylpyrazol-4-yl)urea;tert-butyl N-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)carbamate;tert-butyl N-methyl-N-[1-pyridin-3-yl-3-(trifluoromethyl)pyrazol-4-yl]carbamate;tert-butyl N-methyl-N-[1-pyrimidin-5-yl-3-(trifluoromethyl)pyrazol-4-yl]carbamate;tert-butyl N-[1-pyridin-3-yl-3-(trifluoromethyl)pyrazol-4-yl]carbamate;tert-butyl N-[1-pyrimidin-5-yl-3-(trifluoromethyl)pyrazol-4-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cn(-c2cccnc2)nc1C(F)(F)F.CC(C)(C)OC(=O)Nc1cn(-c2cncnc2)nc1C(F)(F)F.CN(C(=O)OC(C)(C)C)c1cc(-c2cccnc2)nn1C.CN(C(=O)OC(C)(C)C)c1cc(-c2cncnc2)nn1C.CN(C(=O)OC(C)(C)C)c1cn(-c2cccnc2)nc1C(F)(F)F.CN(C(=O)OC(C)(C)C)c1cn(-c2cncnc2)nc1C(F)(F)F.Cc1nn(-c2cncnc2)cc1N(C)C(=O)NC(C)(C)C.Cn1nc(-c2cccnc2)cc1NC(=O)OC(C)(C)C
InChIInChI=1S/C15H17F3N4O2.C15H20N4O2.C14H16F3N5O2.C14H15F3N4O2.C14H20N6O.C14H19N5O2.C14H18N4O2.C13H14F3N5O2/c1-14(2,3)24-13(23)21(4)11-9-22(10-6-5-7-19-8-10)20-12(11)15(16,17)18;1-15(2,3)21-14(20)18(4)13-9-12(17-19(13)5)11-7-6-8-16-10-11;1-13(2,3)24-12(23)21(4)10-7-22(9-5-18-8-19-6-9)20-11(10)14(15,16)17;1-13(2,3)23-12(22)19-10-8-21(9-5-4-6-18-7-9)20-11(10)14(15,16)17;1-10-12(19(5)13(21)17-14(2,3)4)8-20(18-10)11-6-15-9-16-7-11;1-14(2,3)21-13(20)18(4)12-6-11(17-19(12)5)10-7-15-9-16-8-10;1-14(2,3)20-13(19)16-12-8-11(17-18(12)4)10-6-5-7-15-9-10;1-12(2,3)23-11(22)19-9-6-21(8-4-17-7-18-5-8)20-10(9)13(14,15)16/h5-9H,1-4H3;6-10H,1-5H3;5-8H,1-4H3;4-8H,1-3H3,(H,19,22);6-9H,1-5H3,(H,17,21);6-9H,1-5H3;5-9H,1-4H3,(H,16,19);4-7H,1-3H3,(H,19,22)
InChIKeyBAGJDEYWIMOAMF-UHFFFAOYSA-N
XLogP23.22
TPSA562.73 Ų
H-Bond Donors4
H-Bond Acceptors43
Rotatable Bonds16
Heavy Atoms177
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002483.57
LogP ≤ 523.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze tert-butyl N-methyl-N-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)carbamate;tert-butyl N-methyl-N-(1-methyl-3-pyrimidin-5-ylpyrazol-5-yl)carbamate;3-tert-butyl-1-methyl-1-(3-methyl-1-pyrimidin-5-ylpyrazol-4-yl)urea;tert-butyl N-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)carbamate;tert-butyl N-methyl-N-[1-pyridin-3-yl-3-(trifluoromethyl)pyrazol-4-yl]carbamate;tert-butyl N-methyl-N-[1-pyrimidin-5-yl-3-(trifluoromethyl)pyrazol-4-yl]carbamate;tert-butyl N-[1-pyridin-3-yl-3-(trifluoromethyl)pyrazol-4-yl]carbamate;tert-butyl N-[1-pyrimidin-5-yl-3-(trifluoromethyl)pyrazol-4-yl]carbamate with MolForge

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Related Compounds

N-[4-[[6-(3,3-difluoropyrrolidin-1-yl)-3-[(4,6-dimethyl-2-pyridinyl)carbamoyl]imidazo[1,2-b]pyridazin-1-ium-1-yl]methyl]-6-methyl-2-pyridinyl]-6-(3-fluoropyrrolidin-1-yl)-1-[2-[[6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carbonyl]amino]-6-methyl-4-pyridinyl]imidazo[1,2-b]pyridazin-1-ium-3-carboxamide
CID 123839257
tert-butyl (1S,4S)-5-[4-[3-[[4-(trifluoromethyl)pyridin-2-yl]amino]pyrazolo[3,4-c]pyridin-1-yl]pyridin-2-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 141618526
Tert-butyl 4-[5-[[4-[1-(2,2-difluoroethyl)-3-pyridin-3-ylpyrazol-4-yl]pyrimidin-2-yl]amino]pyridin-2-yl]piperazine-1-carboxylate
CID 142395619
(1S)-N-carbamoyl-N-[(1S)-1-[6-[4-fluoro-3-[[3-[[2-[(5S)-3-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-2,4-dioxo-1,3-diazaspiro[4.5]dec-7-en-8-yl]-6-methylpyrimidin-4-yl]amino]-1H-pyrazol-5-yl]methyl]pyrazol-1-yl]-3-pyridinyl]ethyl]-4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]cyclohex-3-ene-1-carboxamide
CID 146665752
tert-butyl N-[9-[[5-[3-[1-(difluoromethyl)pyrazol-3-yl]-3-(methoxycarbonylamino)piperidin-1-yl]-2-(4-fluorophenyl)-4-pyridinyl]methyl]purin-6-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 156073400
cyclopropyl N-propan-2-ylcarbamate;1-(2,2-difluorocyclopropyl)-3-propan-2-ylurea;3,3-difluoro-N-propan-2-ylpiperidine-1-carboxamide;(2-fluoro-2-methylcyclopropyl) N-propan-2-ylcarbamate;3-fluoro-3-methyl-N-propan-2-ylpyrrolidine-1-carboxamide;1-[(3-fluoro-2-pyridinyl)methyl]-3-propan-2-ylurea;1-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-propan-2-ylurea;1-[(4-methylpyrimidin-2-yl)methyl]-3-propan-2-ylurea;1-[(1-methyl-1,2,4-triazol-3-yl)methyl]-3-propan-2-ylurea;N-propan-2-yl-2-azabicyclo[2.2.1]heptane-2-carboxamide;N-propan-2-yl-5-azaspiro[2.4]heptane-5-carboxamide;N-propan-2-ylpiperidine-1-carboxamide
CID 157054312
1-[2-(ethylamino)-2-oxoethyl]-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;1-(3-methoxypropyl)-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;1-[2-(methylamino)-2-oxoethyl]-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;methyl 4-[2-oxo-5-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]-1-pyridinyl]butanoate;2-[2-oxo-5-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]carbamoyl]-1-pyridinyl]acetic acid
CID 157109304
tert-butyl 4-[6-[[2-[4-(2-methyl-4-pyridinyl)pyrazol-1-yl]acetyl]amino]-3-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[6-[[2-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]acetyl]amino]-3-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[6-[[2-[4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]acetyl]amino]-3-pyridinyl]piperazine-1-carboxylate;2-[4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;N-(5-pyrazin-2-yl-2-pyridinyl)-2-(4-pyridin-4-ylimidazol-1-yl)acetamide;N-(5-pyrazin-2-yl-2-pyridinyl)-2-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]acetamide;N-(5-pyrimidin-4-yl-2-pyridinyl)-2-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]acetamide;N-(5-pyrimidin-5-yl-2-pyridinyl)-2-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]acetamide
CID 157175782
(9S)-5-(1-cyclopropylpyrazol-4-yl)-N-pyrazin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-pyrazin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-(5-fluoro-6-methyl-3-pyridinyl)-N-pyrazin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-N-pyrazin-2-yl-5-[2-(trifluoromethyl)pyrimidin-4-yl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide
CID 157217832
Tert-butyl 4-[4-[1-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrazolo[4,5-b]pyridin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate;6-(1-cyclohexylpyrazol-4-yl)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)pyrazolo[4,5-b]pyridine;bis(6-(1-cyclohexylpyrazol-4-yl)-1-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrazolo[4,5-b]pyridine)
CID 157303422
1-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridin-1-yl]-4,4,4-trifluorobutan-1-one;8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-amine;tert-butyl 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine-1-carboxylate;1-(2,2-difluoroethyl)pyrazol-4-amine;1-[4-[2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]-4,4,4-trifluorobutan-1-one
CID 157309294
(9S)-5-(2-methyl-4-pyridinyl)-N-(4-pyrrolidin-1-yl-2-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-(2-methyl-4-pyridinyl)-N-[4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-2-pyridinyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-(2-methyl-4-pyridinyl)-N-[4-(1,3,5-trimethylpyrazol-4-yl)-2-pyridinyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide
CID 157421670

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)carbamate;tert-butyl N-methyl-N-(1-methyl-3-pyrimidin-5-ylpyrazol-5-yl)carbamate;3-tert-butyl-1-methyl-1-(3-methyl-1-pyrimidin-5-ylpyrazol-4-yl)urea;tert-butyl N-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)carbamate;tert-butyl N-methyl-N-[1-pyridin-3-yl-3-(trifluoromethyl)pyrazol-4-yl]carbamate;tert-butyl N-methyl-N-[1-pyrimidin-5-yl-3-(trifluoromethyl)pyrazol-4-yl]carbamate;tert-butyl N-[1-pyridin-3-yl-3-(trifluoromethyl)pyrazol-4-yl]carbamate;tert-butyl N-[1-pyrimidin-5-yl-3-(trifluoromethyl)pyrazol-4-yl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)carbamate;tert-butyl N-methyl-N-(1-methyl-3-pyrimidin-5-ylpyrazol-5-yl)carbamate;3-tert-butyl-1-methyl-1-(3-methyl-1-pyrimidin-5-ylpyrazol-4-yl)urea;tert-butyl N-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)carbamate;tert-butyl N-methyl-N-[1-pyridin-3-yl-3-(trifluoromethyl)pyrazol-4-yl]carbamate;tert-butyl N-methyl-N-[1-pyrimidin-5-yl-3-(trifluoromethyl)pyrazol-4-yl]carbamate;tert-butyl N-[1-pyridin-3-yl-3-(trifluoromethyl)pyrazol-4-yl]carbamate;tert-butyl N-[1-pyrimidin-5-yl-3-(trifluoromethyl)pyrazol-4-yl]carbamate (CID 157286162) is tert-butyl N-methyl-N-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)carbamate;tert-butyl N-methyl-N-(1-methyl-3-pyrimidin-5-ylpyrazol-5-yl)carbamate;3-tert-butyl-1-methyl-1-(3-methyl-1-pyrimidin-5-ylpyrazol-4-yl)urea;tert-butyl N-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)carbamate;tert-butyl N-methyl-N-[1-pyridin-3-yl-3-(trifluoromethyl)pyrazol-4-yl]carbamate;tert-butyl N-methyl-N-[1-pyrimidin-5-yl-3-(trifluoromethyl)pyrazol-4-yl]carbamate;tert-butyl N-[1-pyridin-3-yl-3-(trifluoromethyl)pyrazol-4-yl]carbamate;tert-butyl N-[1-pyrimidin-5-yl-3-(trifluoromethyl)pyrazol-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)carbamate;tert-butyl N-methyl-N-(1-methyl-3-pyrimidin-5-ylpyrazol-5-yl)carbamate;3-tert-butyl-1-methyl-1-(3-methyl-1-pyrimidin-5-ylpyrazol-4-yl)urea;tert-butyl N-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)carbamate;tert-butyl N-methyl-N-[1-pyridin-3-yl-3-(trifluoromethyl)pyrazol-4-yl]carbamate;tert-butyl N-methyl-N-[1-pyrimidin-5-yl-3-(trifluoromethyl)pyrazol-4-yl]carbamate;tert-butyl N-[1-pyridin-3-yl-3-(trifluoromethyl)pyrazol-4-yl]carbamate;tert-butyl N-[1-pyrimidin-5-yl-3-(trifluoromethyl)pyrazol-4-yl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)carbamate;tert-butyl N-methyl-N-(1-methyl-3-pyrimidin-5-ylpyrazol-5-yl)carbamate;3-tert-butyl-1-methyl-1-(3-methyl-1-pyrimidin-5-ylpyrazol-4-yl)urea;tert-butyl N-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)carbamate;tert-butyl N-methyl-N-[1-pyridin-3-yl-3-(trifluoromethyl)pyrazol-4-yl]carbamate;tert-butyl N-methyl-N-[1-pyrimidin-5-yl-3-(trifluoromethyl)pyrazol-4-yl]carbamate;tert-butyl N-[1-pyridin-3-yl-3-(trifluoromethyl)pyrazol-4-yl]carbamate;tert-butyl N-[1-pyrimidin-5-yl-3-(trifluoromethyl)pyrazol-4-yl]carbamate is CC(C)(C)OC(=O)Nc1cn(-c2cccnc2)nc1C(F)(F)F.CC(C)(C)OC(=O)Nc1cn(-c2cncnc2)nc1C(F)(F)F.CN(C(=O)OC(C)(C)C)c1cc(-c2cccnc2)nn1C.CN(C(=O)OC(C)(C)C)c1cc(-c2cncnc2)nn1C.CN(C(=O)OC(C)(C)C)c1cn(-c2cccnc2)nc1C(F)(F)F.CN(C(=O)OC(C)(C)C)c1cn(-c2cncnc2)nc1C(F)(F)F.Cc1nn(-c2cncnc2)cc1N(C)C(=O)NC(C)(C)C.Cn1nc(-c2cccnc2)cc1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)carbamate;tert-butyl N-methyl-N-(1-methyl-3-pyrimidin-5-ylpyrazol-5-yl)carbamate;3-tert-butyl-1-methyl-1-(3-methyl-1-pyrimidin-5-ylpyrazol-4-yl)urea;tert-butyl N-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)carbamate;tert-butyl N-methyl-N-[1-pyridin-3-yl-3-(trifluoromethyl)pyrazol-4-yl]carbamate;tert-butyl N-methyl-N-[1-pyrimidin-5-yl-3-(trifluoromethyl)pyrazol-4-yl]carbamate;tert-butyl N-[1-pyridin-3-yl-3-(trifluoromethyl)pyrazol-4-yl]carbamate;tert-butyl N-[1-pyrimidin-5-yl-3-(trifluoromethyl)pyrazol-4-yl]carbamate?
The InChIKey is BAGJDEYWIMOAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O2.C15H20N4O2.C14H16F3N5O2.C14H15F3N4O2.C14H20N6O.C14H19N5O2.C14H18N4O2.C13H14F3N5O2/c1-14(2,3)24-13(23)21(4)11-9-22(10-6-5-7-19-8-10)20-12(11)15(16,17)18;1-15(2,3)21-14(20)18(4)13-9-12(17-19(13)5)11-7-6-8-16-10-11;1-13(2,3)24-12(23)21(4)10-7-22(9-5-18-8-19-6-9)20-11(10)14(15,16)17;1-13(2,3)23-12(22)19-10-8-21(9-5-4-6-18-7-9)20-11(10)14(15,16)17;1-10-12(19(5)13(21)17-14(2,3)4)8-20(18-10)11-6-15-9-16-7-11;1-14(2,3)21-13(20)18(4)12-6-11(17-19(12)5)10-7-15-9-16-8-10;1-14(2,3)20-13(19)16-12-8-11(17-18(12)4)10-6-5-7-15-9-10;1-12(2,3)23-11(22)19-9-6-21(8-4-17-7-18-5-8)20-10(9)13(14,15)16/h5-9H,1-4H3;6-10H,1-5H3;5-8H,1-4H3;4-8H,1-3H3,(H,19,22);6-9H,1-5H3,(H,17,21);6-9H,1-5H3;5-9H,1-4H3,(H,16,19);4-7H,1-3H3,(H,19,22).
What are the key properties of tert-butyl N-methyl-N-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)carbamate;tert-butyl N-methyl-N-(1-methyl-3-pyrimidin-5-ylpyrazol-5-yl)carbamate;3-tert-butyl-1-methyl-1-(3-methyl-1-pyrimidin-5-ylpyrazol-4-yl)urea;tert-butyl N-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)carbamate;tert-butyl N-methyl-N-[1-pyridin-3-yl-3-(trifluoromethyl)pyrazol-4-yl]carbamate;tert-butyl N-methyl-N-[1-pyrimidin-5-yl-3-(trifluoromethyl)pyrazol-4-yl]carbamate;tert-butyl N-[1-pyridin-3-yl-3-(trifluoromethyl)pyrazol-4-yl]carbamate;tert-butyl N-[1-pyrimidin-5-yl-3-(trifluoromethyl)pyrazol-4-yl]carbamate?
tert-butyl N-methyl-N-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)carbamate;tert-butyl N-methyl-N-(1-methyl-3-pyrimidin-5-ylpyrazol-5-yl)carbamate;3-tert-butyl-1-methyl-1-(3-methyl-1-pyrimidin-5-ylpyrazol-4-yl)urea;tert-butyl N-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)carbamate;tert-butyl N-methyl-N-[1-pyridin-3-yl-3-(trifluoromethyl)pyrazol-4-yl]carbamate;tert-butyl N-methyl-N-[1-pyrimidin-5-yl-3-(trifluoromethyl)pyrazol-4-yl]carbamate;tert-butyl N-[1-pyridin-3-yl-3-(trifluoromethyl)pyrazol-4-yl]carbamate;tert-butyl N-[1-pyrimidin-5-yl-3-(trifluoromethyl)pyrazol-4-yl]carbamate has a molecular weight of 2483.57 g/mol, XLogP of 23.22, 16 rotatable bonds, 4 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)carbamate;tert-butyl N-methyl-N-(1-methyl-3-pyrimidin-5-ylpyrazol-5-yl)carbamate;3-tert-butyl-1-methyl-1-(3-methyl-1-pyrimidin-5-ylpyrazol-4-yl)urea;tert-butyl N-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)carbamate;tert-butyl N-methyl-N-[1-pyridin-3-yl-3-(trifluoromethyl)pyrazol-4-yl]carbamate;tert-butyl N-methyl-N-[1-pyrimidin-5-yl-3-(trifluoromethyl)pyrazol-4-yl]carbamate;tert-butyl N-[1-pyridin-3-yl-3-(trifluoromethyl)pyrazol-4-yl]carbamate;tert-butyl N-[1-pyrimidin-5-yl-3-(trifluoromethyl)pyrazol-4-yl]carbamate is sourced from PubChem (CID 157286162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).