tert-butyl 3-(4-tert-butylpyrazol-1-yl)pyrrolidine-1-carboxylate;4-tert-butyl-5-fluoro-1-(2-methoxyethyl)pyrazole;4-tert-butyl-1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazole;4-tert-butyl-1-(2-methoxyethyl)-5-(trifluoromethyl)pyrazole;4-tert-butyl-1-(3-methylbutan-2-yl)pyrazole;4-tert-butyl-1-(oxan-3-yl)pyrazole;4-tert-butyl-1-(oxetan-3-yl)pyrazole;4-tert-butyl-1-(1-phenylethyl)pyrazole;2-(4-tert-butylpyrazol-1-yl)-N,N-dimethylacetamide;4-(4-tert-butylpyrazol-1-yl)piperidine;2-(4-tert-butylpyrazol-1-yl)propanoic acid;2-(4-tert-butylpyrazol-1-yl)pyridine

C142H227F7N28O10 — CID 158676712

IUPACtert-butyl 3-(4-tert-butylpyrazol-1-yl)pyrrolidine-1-carboxylate;4-tert-butyl-5-fluoro-1-(2-methoxyethyl)pyrazole;4-tert-butyl-1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazole;4-tert-butyl-1-(2-methoxyethyl)-5-(trifluoromethyl)pyrazole;4-tert-butyl-1-(3-methylbutan-2-yl)pyrazole;4-tert-butyl-1-(oxan-3-yl)pyrazole;4-tert-butyl-1-(oxetan-3-yl)pyrazole;4-tert-butyl-1-(1-phenylethyl)pyrazole;2-(4-tert-butylpyrazol-1-yl)-N,N-dimethylacetamide;4-(4-tert-butylpyrazol-1-yl)piperidine;2-(4-tert-butylpyrazol-1-yl)propanoic acid;2-(4-tert-butylpyrazol-1-yl)pyridine
SMILESCC(C(=O)O)n1cc(C(C)(C)C)cn1.CC(C)(C)OC(=O)N1CCC(n2cc(C(C)(C)C)cn2)C1.CC(C)(C)c1cnn(-c2ccccn2)c1.CC(C)(C)c1cnn(C2CCCOC2)c1.CC(C)(C)c1cnn(C2CCNCC2)c1.CC(C)(C)c1cnn(C2COC2)c1.CC(C)C(C)n1cc(C(C)(C)C)cn1.CC(c1ccccc1)n1cc(C(C)(C)C)cn1.CN(C)C(=O)Cn1cc(C(C)(C)C)cn1.COCCn1cc(C(C)(C)C)c(C(F)(F)F)n1.COCCn1ncc(C(C)(C)C)c1C(F)(F)F.COCCn1ncc(C(C)(C)C)c1F
InChIInChI=1S/C16H27N3O2.C15H20N2.C12H21N3.C12H15N3.C12H20N2O.C12H22N2.2C11H17F3N2O.C11H19N3O.C10H17FN2O.C10H16N2O2.C10H16N2O/c1-15(2,3)12-9-17-19(10-12)13-7-8-18(11-13)14(20)21-16(4,5)6;1-12(13-8-6-5-7-9-13)17-11-14(10-16-17)15(2,3)4;1-12(2,3)10-8-14-15(9-10)11-4-6-13-7-5-11;1-12(2,3)10-8-14-15(9-10)11-6-4-5-7-13-11;1-12(2,3)10-7-13-14(8-10)11-5-4-6-15-9-11;1-9(2)10(3)14-8-11(7-13-14)12(4,5)6;1-10(2,3)8-7-16(5-6-17-4)15-9(8)11(12,13)14;1-10(2,3)8-7-15-16(5-6-17-4)9(8)11(12,13)14;1-11(2,3)9-6-12-14(7-9)8-10(15)13(4)5;1-10(2,3)8-7-12-13(9(8)11)5-6-14-4;1-7(9(13)14)12-6-8(5-11-12)10(2,3)4;1-10(2,3)8-4-11-12(5-8)9-6-13-7-9/h9-10,13H,7-8,11H2,1-6H3;5-12H,1-4H3;8-9,11,13H,4-7H2,1-3H3;4-9H,1-3H3;7-8,11H,4-6,9H2,1-3H3;7-10H,1-6H3;2*7H,5-6H2,1-4H3;6-7H,8H2,1-5H3;7H,5-6H2,1-4H3;5-7H,1-4H3,(H,13,14);4-5,9H,6-7H2,1-3H3
InChIKeyIEPOJDZLLZCKJC-UHFFFAOYSA-N
MW2619.55 g/mol
LogP30.26
Rot. Bonds22

About tert-butyl 3-(4-tert-butylpyrazol-1-yl)pyrrolidine-1-carboxylate;4-tert-butyl-5-fluoro-1-(2-methoxyethyl)pyrazole;4-tert-butyl-1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazole;4-tert-butyl-1-(2-methoxyethyl)-5-(trifluoromethyl)pyrazole;4-tert-butyl-1-(3-methylbutan-2-yl)pyrazole;4-tert-butyl-1-(oxan-3-yl)pyrazole;4-tert-butyl-1-(oxetan-3-yl)pyrazole;4-tert-butyl-1-(1-phenylethyl)pyrazole;2-(4-tert-butylpyrazol-1-yl)-N,N-dimethylacetamide;4-(4-tert-butylpyrazol-1-yl)piperidine;2-(4-tert-butylpyrazol-1-yl)propanoic acid;2-(4-tert-butylpyrazol-1-yl)pyridine

tert-butyl 3-(4-tert-butylpyrazol-1-yl)pyrrolidine-1-carboxylate;4-tert-butyl-5-fluoro-1-(2-methoxyethyl)pyrazole;4-tert-butyl-1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazole;4-tert-butyl-1-(2-methoxyethyl)-5-(trifluoromethyl)pyrazole;4-tert-butyl-1-(3-methylbutan-2-yl)pyrazole;4-tert-butyl-1-(oxan-3-yl)pyrazole;4-tert-butyl-1-(oxetan-3-yl)pyrazole;4-tert-butyl-1-(1-phenylethyl)pyrazole;2-(4-tert-butylpyrazol-1-yl)-N,N-dimethylacetamide;4-(4-tert-butylpyrazol-1-yl)piperidine;2-(4-tert-butylpyrazol-1-yl)propanoic acid;2-(4-tert-butylpyrazol-1-yl)pyridine (PubChem CID 158676712) has the molecular formula C142H227F7N28O10 and a molecular weight of 2619.55 g/mol. Its IUPAC name is tert-butyl 3-(4-tert-butylpyrazol-1-yl)pyrrolidine-1-carboxylate;4-tert-butyl-5-fluoro-1-(2-methoxyethyl)pyrazole;4-tert-butyl-1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazole;4-tert-butyl-1-(2-methoxyethyl)-5-(trifluoromethyl)pyrazole;4-tert-butyl-1-(3-methylbutan-2-yl)pyrazole;4-tert-butyl-1-(oxan-3-yl)pyrazole;4-tert-butyl-1-(oxetan-3-yl)pyrazole;4-tert-butyl-1-(1-phenylethyl)pyrazole;2-(4-tert-butylpyrazol-1-yl)-N,N-dimethylacetamide;4-(4-tert-butylpyrazol-1-yl)piperidine;2-(4-tert-butylpyrazol-1-yl)propanoic acid;2-(4-tert-butylpyrazol-1-yl)pyridine.

Molecular Properties

Compound Nametert-butyl 3-(4-tert-butylpyrazol-1-yl)pyrrolidine-1-carboxylate;4-tert-butyl-5-fluoro-1-(2-methoxyethyl)pyrazole;4-tert-butyl-1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazole;4-tert-butyl-1-(2-methoxyethyl)-5-(trifluoromethyl)pyrazole;4-tert-butyl-1-(3-methylbutan-2-yl)pyrazole;4-tert-butyl-1-(oxan-3-yl)pyrazole;4-tert-butyl-1-(oxetan-3-yl)pyrazole;4-tert-butyl-1-(1-phenylethyl)pyrazole;2-(4-tert-butylpyrazol-1-yl)-N,N-dimethylacetamide;4-(4-tert-butylpyrazol-1-yl)piperidine;2-(4-tert-butylpyrazol-1-yl)propanoic acid;2-(4-tert-butylpyrazol-1-yl)pyridine
PubChem CID158676712
Molecular FormulaC142H227F7N28O10
Molecular Weight2619.55 g/mol
Exact Mass2617.80
IUPAC Nametert-butyl 3-(4-tert-butylpyrazol-1-yl)pyrrolidine-1-carboxylate;4-tert-butyl-5-fluoro-1-(2-methoxyethyl)pyrazole;4-tert-butyl-1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazole;4-tert-butyl-1-(2-methoxyethyl)-5-(trifluoromethyl)pyrazole;4-tert-butyl-1-(3-methylbutan-2-yl)pyrazole;4-tert-butyl-1-(oxan-3-yl)pyrazole;4-tert-butyl-1-(oxetan-3-yl)pyrazole;4-tert-butyl-1-(1-phenylethyl)pyrazole;2-(4-tert-butylpyrazol-1-yl)-N,N-dimethylacetamide;4-(4-tert-butylpyrazol-1-yl)piperidine;2-(4-tert-butylpyrazol-1-yl)propanoic acid;2-(4-tert-butylpyrazol-1-yl)pyridine
SMILESCC(C(=O)O)n1cc(C(C)(C)C)cn1.CC(C)(C)OC(=O)N1CCC(n2cc(C(C)(C)C)cn2)C1.CC(C)(C)c1cnn(-c2ccccn2)c1.CC(C)(C)c1cnn(C2CCCOC2)c1.CC(C)(C)c1cnn(C2CCNCC2)c1.CC(C)(C)c1cnn(C2COC2)c1.CC(C)C(C)n1cc(C(C)(C)C)cn1.CC(c1ccccc1)n1cc(C(C)(C)C)cn1.CN(C)C(=O)Cn1cc(C(C)(C)C)cn1.COCCn1cc(C(C)(C)C)c(C(F)(F)F)n1.COCCn1ncc(C(C)(C)C)c1C(F)(F)F.COCCn1ncc(C(C)(C)C)c1F
InChIInChI=1S/C16H27N3O2.C15H20N2.C12H21N3.C12H15N3.C12H20N2O.C12H22N2.2C11H17F3N2O.C11H19N3O.C10H17FN2O.C10H16N2O2.C10H16N2O/c1-15(2,3)12-9-17-19(10-12)13-7-8-18(11-13)14(20)21-16(4,5)6;1-12(13-8-6-5-7-9-13)17-11-14(10-16-17)15(2,3)4;1-12(2,3)10-8-14-15(9-10)11-4-6-13-7-5-11;1-12(2,3)10-8-14-15(9-10)11-6-4-5-7-13-11;1-12(2,3)10-7-13-14(8-10)11-5-4-6-15-9-11;1-9(2)10(3)14-8-11(7-13-14)12(4,5)6;1-10(2,3)8-7-16(5-6-17-4)15-9(8)11(12,13)14;1-10(2,3)8-7-15-16(5-6-17-4)9(8)11(12,13)14;1-11(2,3)9-6-12-14(7-9)8-10(15)13(4)5;1-10(2,3)8-7-12-13(9(8)11)5-6-14-4;1-7(9(13)14)12-6-8(5-11-12)10(2,3)4;1-10(2,3)8-4-11-12(5-8)9-6-13-7-9/h9-10,13H,7-8,11H2,1-6H3;5-12H,1-4H3;8-9,11,13H,4-7H2,1-3H3;4-9H,1-3H3;7-8,11H,4-6,9H2,1-3H3;7-10H,1-6H3;2*7H,5-6H2,1-4H3;6-7H,8H2,1-5H3;7H,5-6H2,1-4H3;5-7H,1-4H3,(H,13,14);4-5,9H,6-7H2,1-3H3
InChIKeyIEPOJDZLLZCKJC-UHFFFAOYSA-N
XLogP30.26
TPSA372.06 Ų
H-Bond Donors2
H-Bond Acceptors35
Rotatable Bonds22
Heavy Atoms187
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002619.55
LogP ≤ 530.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1035

Analyze tert-butyl 3-(4-tert-butylpyrazol-1-yl)pyrrolidine-1-carboxylate;4-tert-butyl-5-fluoro-1-(2-methoxyethyl)pyrazole;4-tert-butyl-1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazole;4-tert-butyl-1-(2-methoxyethyl)-5-(trifluoromethyl)pyrazole;4-tert-butyl-1-(3-methylbutan-2-yl)pyrazole;4-tert-butyl-1-(oxan-3-yl)pyrazole;4-tert-butyl-1-(oxetan-3-yl)pyrazole;4-tert-butyl-1-(1-phenylethyl)pyrazole;2-(4-tert-butylpyrazol-1-yl)-N,N-dimethylacetamide;4-(4-tert-butylpyrazol-1-yl)piperidine;2-(4-tert-butylpyrazol-1-yl)propanoic acid;2-(4-tert-butylpyrazol-1-yl)pyridine with MolForge

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Related Compounds

methyl N-[(1S)-1-[[[4-[1-(difluoromethyl)pyrazol-3-yl]-2,6-difluoro-phenyl]methyl-[(2S,3S)-2-hydroxy-4-[4-[2-[6-[(1R,4R)-2-(oxetan-3-yl)-2,5-diazabicyclo[2.2.1]heptan-5-yl]-3-pyridyl]ethynyl]phenyl]-3-[[(2S)-4,4,4-trifluoro-2-(methoxycarbonylamino)-3,3-dimethyl-butanoyl]amino]butyl]amino]carbamoyl]-3,3,3-trifluoro-2,2-dimethyl-propyl]carbamate
CID 138644725
methyl N-[(1S)-1-[[[4-[1-(2,2-difluoroethyl)pyrazol-3-yl]-2,6-difluoro-phenyl]methyl-[(2S,3S)-2-hydroxy-4-[4-[6-[8-(oxetan-3-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-pyridyl]phenyl]-3-[[(2S)-4,4,4-trifluoro-2-(methoxycarbonylamino)-3,3-dimethyl-butanoyl]amino]butyl]amino]carbamoyl]-3,3,3-trifluoro-2,2-dimethyl-propyl]carbamate
CID 138644726
methyl N-[(1S)-1-[[[4-(1-cyclopropylpyrazol-3-yl)-2,6-difluoro-phenyl]methyl-[(2S,3S)-2-hydroxy-4-[4-[2-[6-[(1S,4S)-2-(oxetan-3-yl)-2,5-diazabicyclo[2.2.1]heptan-5-yl]-3-pyridyl]ethynyl]phenyl]-3-[[(2S)-4,4,4-trifluoro-2-(methoxycarbonylamino)-3,3-dimethyl-butanoyl]amino]butyl]amino]carbamoyl]-3,3,3-trifluoro-2,2-dimethyl-propyl]carbamate
CID 138644762
methyl N-[(1S)-1-[[[4-(1-cyclopropylpyrazol-3-yl)-2,6-difluoro-phenyl]methyl-[(2S,3S)-2-hydroxy-4-[4-[2-[6-[(1R,4R)-2-(oxetan-3-yl)-2,5-diazabicyclo[2.2.1]heptan-5-yl]-3-pyridyl]ethynyl]phenyl]-3-[[(2S)-4,4,4-trifluoro-2-(methoxycarbonylamino)-3,3-dimethyl-butanoyl]amino]butyl]amino]carbamoyl]-3,3,3-trifluoro-2,2-dimethyl-propyl]carbamate
CID 138644808
methyl N-[(1S)-1-[[[4-[1-(difluoromethyl)pyrazol-3-yl]-2,6-difluoro-phenyl]methyl-[(2S,3S)-2-hydroxy-4-[4-[2-[6-[(1S,4S)-2-(oxetan-3-yl)-2,5-diazabicyclo[2.2.1]heptan-5-yl]-3-pyridyl]ethynyl]phenyl]-3-[[(2S)-4,4,4-trifluoro-2-(methoxycarbonylamino)-3,3-dimethyl-butanoyl]amino]butyl]amino]carbamoyl]-3,3,3-trifluoro-2,2-dimethyl-propyl]carbamate
CID 138644907
methyl N-[(1S)-1-[[[4-[1-(difluoromethyl)pyrazol-3-yl]-2,6-difluoro-phenyl]methyl-[(2S,3S)-2-hydroxy-4-[4-[6-[8-(oxetan-3-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-pyridyl]phenyl]-3-[[(2S)-4,4,4-trifluoro-2-(methoxycarbonylamino)-3,3-dimethyl-butanoyl]amino]butyl]amino]carbamoyl]-3,3,3-trifluoro-2,2-dimethyl-propyl]carbamate
CID 140908317
methyl N-[(1S)-1-[[[2,6-difluoro-4-(1-methylpyrazol-3-yl)phenyl]methyl-[(2S,3S)-2-hydroxy-4-[4-[6-[8-(oxetan-3-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-pyridyl]phenyl]-3-[[(2S)-4,4,4-trifluoro-2-(methoxycarbonylamino)-3,3-dimethyl-butanoyl]amino]butyl]amino]carbamoyl]-3,3,3-trifluoro-2,2-dimethyl-propyl]carbamate
CID 140908333
methyl N-[(1S)-1-[[[4-[1-(2,2-difluoroethyl)pyrazol-3-yl]-2,6-difluoro-phenyl]methyl-[(2S,3S)-2-hydroxy-4-[4-[2-[6-[(1S,4S)-2-(oxetan-3-yl)-2,5-diazabicyclo[2.2.1]heptan-5-yl]-3-pyridyl]ethynyl]phenyl]-3-[[(2S)-4,4,4-trifluoro-2-(methoxycarbonylamino)-3,3-dimethyl-butanoyl]amino]butyl]amino]carbamoyl]-2,2-dimethyl-propyl]carbamate
CID 145998313
methyl N-[(1S)-1-[[[4-[1-(2,2-difluoroethyl)pyrazol-3-yl]-2,6-difluoro-phenyl]methyl-[(2S,3S)-2-hydroxy-4-[4-[6-[(1S,4S)-2-(oxetan-3-yl)-2,5-diazabicyclo[2.2.1]heptan-5-yl]-3-pyridyl]phenyl]-3-[[(2S)-4,4,4-trifluoro-2-(methoxycarbonylamino)-3,3-dimethyl-butanoyl]amino]butyl]amino]carbamoyl]-3,3,3-trifluoro-2,2-dimethyl-propyl]carbamate
CID 145998372
methyl N-[(1S)-1-[[[4-(1-cyclopropylpyrazol-3-yl)-2,6-difluoro-phenyl]methyl-[(2S,3S)-2-hydroxy-4-[4-[6-[(1S,4S)-2-(oxetan-3-yl)-2,5-diazabicyclo[2.2.1]heptan-5-yl]-3-pyridyl]phenyl]-3-[[(2S)-4,4,4-trifluoro-2-(methoxycarbonylamino)-3,3-dimethyl-butanoyl]amino]butyl]amino]carbamoyl]-3,3,3-trifluoro-2,2-dimethyl-propyl]carbamate
CID 145998598
methyl N-[(1S)-1-[[[4-[1-(difluoromethyl)pyrazol-3-yl]-2,6-difluoro-phenyl]methyl-[(2S,3S)-2-hydroxy-4-[4-[6-[(1S,4S)-2-(oxetan-3-yl)-2,5-diazabicyclo[2.2.1]heptan-5-yl]-3-pyridyl]phenyl]-3-[[(2S)-4,4,4-trifluoro-2-(methoxycarbonylamino)-3,3-dimethyl-butanoyl]amino]butyl]amino]carbamoyl]-3,3,3-trifluoro-2,2-dimethyl-propyl]carbamate
CID 145998696
methyl N-[(1S)-1-[[[4-[1-(2,2-difluoroethyl)pyrazol-3-yl]-2,6-difluoro-phenyl]methyl-[(2S,3S)-2-hydroxy-4-[4-[2-[(1S,4S)-2-(oxetan-3-yl)-2,5-diazabicyclo[2.2.1]heptan-5-yl]pyrimidin-5-yl]phenyl]-3-[[(2S)-4,4,4-trifluoro-2-(methoxycarbonylamino)-3,3-dimethyl-butanoyl]amino]butyl]amino]carbamoyl]-3,3,3-trifluoro-2,2-dimethyl-propyl]carbamate
CID 145999818

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(4-tert-butylpyrazol-1-yl)pyrrolidine-1-carboxylate;4-tert-butyl-5-fluoro-1-(2-methoxyethyl)pyrazole;4-tert-butyl-1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazole;4-tert-butyl-1-(2-methoxyethyl)-5-(trifluoromethyl)pyrazole;4-tert-butyl-1-(3-methylbutan-2-yl)pyrazole;4-tert-butyl-1-(oxan-3-yl)pyrazole;4-tert-butyl-1-(oxetan-3-yl)pyrazole;4-tert-butyl-1-(1-phenylethyl)pyrazole;2-(4-tert-butylpyrazol-1-yl)-N,N-dimethylacetamide;4-(4-tert-butylpyrazol-1-yl)piperidine;2-(4-tert-butylpyrazol-1-yl)propanoic acid;2-(4-tert-butylpyrazol-1-yl)pyridine?
The IUPAC name of tert-butyl 3-(4-tert-butylpyrazol-1-yl)pyrrolidine-1-carboxylate;4-tert-butyl-5-fluoro-1-(2-methoxyethyl)pyrazole;4-tert-butyl-1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazole;4-tert-butyl-1-(2-methoxyethyl)-5-(trifluoromethyl)pyrazole;4-tert-butyl-1-(3-methylbutan-2-yl)pyrazole;4-tert-butyl-1-(oxan-3-yl)pyrazole;4-tert-butyl-1-(oxetan-3-yl)pyrazole;4-tert-butyl-1-(1-phenylethyl)pyrazole;2-(4-tert-butylpyrazol-1-yl)-N,N-dimethylacetamide;4-(4-tert-butylpyrazol-1-yl)piperidine;2-(4-tert-butylpyrazol-1-yl)propanoic acid;2-(4-tert-butylpyrazol-1-yl)pyridine (CID 158676712) is tert-butyl 3-(4-tert-butylpyrazol-1-yl)pyrrolidine-1-carboxylate;4-tert-butyl-5-fluoro-1-(2-methoxyethyl)pyrazole;4-tert-butyl-1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazole;4-tert-butyl-1-(2-methoxyethyl)-5-(trifluoromethyl)pyrazole;4-tert-butyl-1-(3-methylbutan-2-yl)pyrazole;4-tert-butyl-1-(oxan-3-yl)pyrazole;4-tert-butyl-1-(oxetan-3-yl)pyrazole;4-tert-butyl-1-(1-phenylethyl)pyrazole;2-(4-tert-butylpyrazol-1-yl)-N,N-dimethylacetamide;4-(4-tert-butylpyrazol-1-yl)piperidine;2-(4-tert-butylpyrazol-1-yl)propanoic acid;2-(4-tert-butylpyrazol-1-yl)pyridine.
What is the SMILES notation for tert-butyl 3-(4-tert-butylpyrazol-1-yl)pyrrolidine-1-carboxylate;4-tert-butyl-5-fluoro-1-(2-methoxyethyl)pyrazole;4-tert-butyl-1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazole;4-tert-butyl-1-(2-methoxyethyl)-5-(trifluoromethyl)pyrazole;4-tert-butyl-1-(3-methylbutan-2-yl)pyrazole;4-tert-butyl-1-(oxan-3-yl)pyrazole;4-tert-butyl-1-(oxetan-3-yl)pyrazole;4-tert-butyl-1-(1-phenylethyl)pyrazole;2-(4-tert-butylpyrazol-1-yl)-N,N-dimethylacetamide;4-(4-tert-butylpyrazol-1-yl)piperidine;2-(4-tert-butylpyrazol-1-yl)propanoic acid;2-(4-tert-butylpyrazol-1-yl)pyridine?
The canonical SMILES for tert-butyl 3-(4-tert-butylpyrazol-1-yl)pyrrolidine-1-carboxylate;4-tert-butyl-5-fluoro-1-(2-methoxyethyl)pyrazole;4-tert-butyl-1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazole;4-tert-butyl-1-(2-methoxyethyl)-5-(trifluoromethyl)pyrazole;4-tert-butyl-1-(3-methylbutan-2-yl)pyrazole;4-tert-butyl-1-(oxan-3-yl)pyrazole;4-tert-butyl-1-(oxetan-3-yl)pyrazole;4-tert-butyl-1-(1-phenylethyl)pyrazole;2-(4-tert-butylpyrazol-1-yl)-N,N-dimethylacetamide;4-(4-tert-butylpyrazol-1-yl)piperidine;2-(4-tert-butylpyrazol-1-yl)propanoic acid;2-(4-tert-butylpyrazol-1-yl)pyridine is CC(C(=O)O)n1cc(C(C)(C)C)cn1.CC(C)(C)OC(=O)N1CCC(n2cc(C(C)(C)C)cn2)C1.CC(C)(C)c1cnn(-c2ccccn2)c1.CC(C)(C)c1cnn(C2CCCOC2)c1.CC(C)(C)c1cnn(C2CCNCC2)c1.CC(C)(C)c1cnn(C2COC2)c1.CC(C)C(C)n1cc(C(C)(C)C)cn1.CC(c1ccccc1)n1cc(C(C)(C)C)cn1.CN(C)C(=O)Cn1cc(C(C)(C)C)cn1.COCCn1cc(C(C)(C)C)c(C(F)(F)F)n1.COCCn1ncc(C(C)(C)C)c1C(F)(F)F.COCCn1ncc(C(C)(C)C)c1F.
What is the InChIKey of tert-butyl 3-(4-tert-butylpyrazol-1-yl)pyrrolidine-1-carboxylate;4-tert-butyl-5-fluoro-1-(2-methoxyethyl)pyrazole;4-tert-butyl-1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazole;4-tert-butyl-1-(2-methoxyethyl)-5-(trifluoromethyl)pyrazole;4-tert-butyl-1-(3-methylbutan-2-yl)pyrazole;4-tert-butyl-1-(oxan-3-yl)pyrazole;4-tert-butyl-1-(oxetan-3-yl)pyrazole;4-tert-butyl-1-(1-phenylethyl)pyrazole;2-(4-tert-butylpyrazol-1-yl)-N,N-dimethylacetamide;4-(4-tert-butylpyrazol-1-yl)piperidine;2-(4-tert-butylpyrazol-1-yl)propanoic acid;2-(4-tert-butylpyrazol-1-yl)pyridine?
The InChIKey is IEPOJDZLLZCKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2.C15H20N2.C12H21N3.C12H15N3.C12H20N2O.C12H22N2.2C11H17F3N2O.C11H19N3O.C10H17FN2O.C10H16N2O2.C10H16N2O/c1-15(2,3)12-9-17-19(10-12)13-7-8-18(11-13)14(20)21-16(4,5)6;1-12(13-8-6-5-7-9-13)17-11-14(10-16-17)15(2,3)4;1-12(2,3)10-8-14-15(9-10)11-4-6-13-7-5-11;1-12(2,3)10-8-14-15(9-10)11-6-4-5-7-13-11;1-12(2,3)10-7-13-14(8-10)11-5-4-6-15-9-11;1-9(2)10(3)14-8-11(7-13-14)12(4,5)6;1-10(2,3)8-7-16(5-6-17-4)15-9(8)11(12,13)14;1-10(2,3)8-7-15-16(5-6-17-4)9(8)11(12,13)14;1-11(2,3)9-6-12-14(7-9)8-10(15)13(4)5;1-10(2,3)8-7-12-13(9(8)11)5-6-14-4;1-7(9(13)14)12-6-8(5-11-12)10(2,3)4;1-10(2,3)8-4-11-12(5-8)9-6-13-7-9/h9-10,13H,7-8,11H2,1-6H3;5-12H,1-4H3;8-9,11,13H,4-7H2,1-3H3;4-9H,1-3H3;7-8,11H,4-6,9H2,1-3H3;7-10H,1-6H3;2*7H,5-6H2,1-4H3;6-7H,8H2,1-5H3;7H,5-6H2,1-4H3;5-7H,1-4H3,(H,13,14);4-5,9H,6-7H2,1-3H3.
What are the key properties of tert-butyl 3-(4-tert-butylpyrazol-1-yl)pyrrolidine-1-carboxylate;4-tert-butyl-5-fluoro-1-(2-methoxyethyl)pyrazole;4-tert-butyl-1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazole;4-tert-butyl-1-(2-methoxyethyl)-5-(trifluoromethyl)pyrazole;4-tert-butyl-1-(3-methylbutan-2-yl)pyrazole;4-tert-butyl-1-(oxan-3-yl)pyrazole;4-tert-butyl-1-(oxetan-3-yl)pyrazole;4-tert-butyl-1-(1-phenylethyl)pyrazole;2-(4-tert-butylpyrazol-1-yl)-N,N-dimethylacetamide;4-(4-tert-butylpyrazol-1-yl)piperidine;2-(4-tert-butylpyrazol-1-yl)propanoic acid;2-(4-tert-butylpyrazol-1-yl)pyridine?
tert-butyl 3-(4-tert-butylpyrazol-1-yl)pyrrolidine-1-carboxylate;4-tert-butyl-5-fluoro-1-(2-methoxyethyl)pyrazole;4-tert-butyl-1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazole;4-tert-butyl-1-(2-methoxyethyl)-5-(trifluoromethyl)pyrazole;4-tert-butyl-1-(3-methylbutan-2-yl)pyrazole;4-tert-butyl-1-(oxan-3-yl)pyrazole;4-tert-butyl-1-(oxetan-3-yl)pyrazole;4-tert-butyl-1-(1-phenylethyl)pyrazole;2-(4-tert-butylpyrazol-1-yl)-N,N-dimethylacetamide;4-(4-tert-butylpyrazol-1-yl)piperidine;2-(4-tert-butylpyrazol-1-yl)propanoic acid;2-(4-tert-butylpyrazol-1-yl)pyridine has a molecular weight of 2619.55 g/mol, XLogP of 30.26, 22 rotatable bonds, 2 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(4-tert-butylpyrazol-1-yl)pyrrolidine-1-carboxylate;4-tert-butyl-5-fluoro-1-(2-methoxyethyl)pyrazole;4-tert-butyl-1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazole;4-tert-butyl-1-(2-methoxyethyl)-5-(trifluoromethyl)pyrazole;4-tert-butyl-1-(3-methylbutan-2-yl)pyrazole;4-tert-butyl-1-(oxan-3-yl)pyrazole;4-tert-butyl-1-(oxetan-3-yl)pyrazole;4-tert-butyl-1-(1-phenylethyl)pyrazole;2-(4-tert-butylpyrazol-1-yl)-N,N-dimethylacetamide;4-(4-tert-butylpyrazol-1-yl)piperidine;2-(4-tert-butylpyrazol-1-yl)propanoic acid;2-(4-tert-butylpyrazol-1-yl)pyridine is sourced from PubChem (CID 158676712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).