5-amino-1-cyclohexyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(cyclohexylmethyl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

C99H107F3N20O8 — CID 158738363

IUPAC5-amino-1-cyclohexyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(cyclohexylmethyl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
SMILESCc1ccccc1C(=O)NCc1ccc(-c2nn(-c3cccc(C(F)(F)F)c3)c(N)c2C(N)=O)cc1.Cc1ccccc1C(=O)NCc1ccc(-c2nn(C(C)C)c(N)c2C(N)=O)cc1.Cc1ccccc1C(=O)NCc1ccc(-c2nn(C3CCCCC3)c(N)c2C(N)=O)cc1.Cc1ccccc1C(=O)NCc1ccc(-c2nn(CC3CCCCC3)c(N)c2C(N)=O)cc1
InChIInChI=1S/C26H22F3N5O2.C26H31N5O2.C25H29N5O2.C22H25N5O2/c1-15-5-2-3-8-20(15)25(36)32-14-16-9-11-17(12-10-16)22-21(24(31)35)23(30)34(33-22)19-7-4-6-18(13-19)26(27,28)29;1-17-7-5-6-10-21(17)26(33)29-15-18-11-13-20(14-12-18)23-22(25(28)32)24(27)31(30-23)16-19-8-3-2-4-9-19;1-16-7-5-6-10-20(16)25(32)28-15-17-11-13-18(14-12-17)22-21(24(27)31)23(26)30(29-22)19-8-3-2-4-9-19;1-13(2)27-20(23)18(21(24)28)19(26-27)16-10-8-15(9-11-16)12-25-22(29)17-7-5-4-6-14(17)3/h2-13H,14,30H2,1H3,(H2,31,35)(H,32,36);5-7,10-14,19H,2-4,8-9,15-16,27H2,1H3,(H2,28,32)(H,29,33);5-7,10-14,19H,2-4,8-9,15,26H2,1H3,(H2,27,31)(H,28,32);4-11,13H,12,23H2,1-3H3,(H2,24,28)(H,25,29)
InChIKeyILYXHEDWWNZTNH-UHFFFAOYSA-N
MW1762.07 g/mol
LogP15.55
Rot. Bonds25

About 5-amino-1-cyclohexyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(cyclohexylmethyl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

5-amino-1-cyclohexyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(cyclohexylmethyl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (PubChem CID 158738363) has the molecular formula C99H107F3N20O8 and a molecular weight of 1762.07 g/mol. Its IUPAC name is 5-amino-1-cyclohexyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(cyclohexylmethyl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-cyclohexyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(cyclohexylmethyl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
PubChem CID158738363
Molecular FormulaC99H107F3N20O8
Molecular Weight1762.07 g/mol
Exact Mass1760.85
IUPAC Name5-amino-1-cyclohexyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(cyclohexylmethyl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
SMILESCc1ccccc1C(=O)NCc1ccc(-c2nn(-c3cccc(C(F)(F)F)c3)c(N)c2C(N)=O)cc1.Cc1ccccc1C(=O)NCc1ccc(-c2nn(C(C)C)c(N)c2C(N)=O)cc1.Cc1ccccc1C(=O)NCc1ccc(-c2nn(C3CCCCC3)c(N)c2C(N)=O)cc1.Cc1ccccc1C(=O)NCc1ccc(-c2nn(CC3CCCCC3)c(N)c2C(N)=O)cc1
InChIInChI=1S/C26H22F3N5O2.C26H31N5O2.C25H29N5O2.C22H25N5O2/c1-15-5-2-3-8-20(15)25(36)32-14-16-9-11-17(12-10-16)22-21(24(31)35)23(30)34(33-22)19-7-4-6-18(13-19)26(27,28)29;1-17-7-5-6-10-21(17)26(33)29-15-18-11-13-20(14-12-18)23-22(25(28)32)24(27)31(30-23)16-19-8-3-2-4-9-19;1-16-7-5-6-10-20(16)25(32)28-15-17-11-13-18(14-12-17)22-21(24(27)31)23(26)30(29-22)19-8-3-2-4-9-19;1-13(2)27-20(23)18(21(24)28)19(26-27)16-10-8-15(9-11-16)12-25-22(29)17-7-5-4-6-14(17)3/h2-13H,14,30H2,1H3,(H2,31,35)(H,32,36);5-7,10-14,19H,2-4,8-9,15-16,27H2,1H3,(H2,28,32)(H,29,33);5-7,10-14,19H,2-4,8-9,15,26H2,1H3,(H2,27,31)(H,28,32);4-11,13H,12,23H2,1-3H3,(H2,24,28)(H,25,29)
InChIKeyILYXHEDWWNZTNH-UHFFFAOYSA-N
XLogP15.55
TPSA464.12 Ų
H-Bond Donors12
H-Bond Acceptors20
Rotatable Bonds25
Heavy Atoms130
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001762.07
LogP ≤ 515.55
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1020

Analyze 5-amino-1-cyclohexyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(cyclohexylmethyl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide with MolForge

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Related Compounds

5-Amino-1-methyl-3-[4-[(4-phenylphenyl)carbamoylamino]phenyl]pyrazole-4-carboxamide;5-amino-1-methyl-3-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazole-4-carboxamide
CID 69839781
5-Amino-1-(3-fluorophenyl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 146990244
5-Amino-1-(4-fluorophenyl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 147932487
5-Amino-1-(2,4-difluorophenyl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 148416655
5-Amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 148980695
5-Amino-1-(3,4-difluorophenyl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 157180133
5-Amino-1-(1-cyclopentylethyl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-[1-(oxan-3-yl)ethyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazole-4-carboxamide
CID 157267071
5-Amino-1-(1-cyclohexylethyl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(1,1-difluoro-4-hydroxybutan-2-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(3,3-difluoro-1-methylpiperidin-4-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(3,3-dimethylbutan-2-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 157443243
5-Amino-1-(2,2-difluoropiperidin-4-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(5,5-difluoropiperidin-3-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(5,5-difluoropyrrolidin-3-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 157580510
5-Amino-1-(2,2-difluorooxan-4-yl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(5,5-difluorooxan-3-yl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(2,2-difluoropiperidin-4-yl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(5,5-difluoropiperidin-3-yl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 157601326
5-Amino-1-(5,5-difluorocyclopent-2-en-1-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(2,2-difluorocyclopentyl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(1-pyridin-3-ylethyl)pyrazole-4-carboxamide
CID 157615729
5-Amino-1-(1-cyclopentylethyl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-ethyl-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 157634576

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-cyclohexyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(cyclohexylmethyl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-cyclohexyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(cyclohexylmethyl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (CID 158738363) is 5-amino-1-cyclohexyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(cyclohexylmethyl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-cyclohexyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(cyclohexylmethyl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-cyclohexyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(cyclohexylmethyl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is Cc1ccccc1C(=O)NCc1ccc(-c2nn(-c3cccc(C(F)(F)F)c3)c(N)c2C(N)=O)cc1.Cc1ccccc1C(=O)NCc1ccc(-c2nn(C(C)C)c(N)c2C(N)=O)cc1.Cc1ccccc1C(=O)NCc1ccc(-c2nn(C3CCCCC3)c(N)c2C(N)=O)cc1.Cc1ccccc1C(=O)NCc1ccc(-c2nn(CC3CCCCC3)c(N)c2C(N)=O)cc1.
What is the InChIKey of 5-amino-1-cyclohexyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(cyclohexylmethyl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The InChIKey is ILYXHEDWWNZTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3N5O2.C26H31N5O2.C25H29N5O2.C22H25N5O2/c1-15-5-2-3-8-20(15)25(36)32-14-16-9-11-17(12-10-16)22-21(24(31)35)23(30)34(33-22)19-7-4-6-18(13-19)26(27,28)29;1-17-7-5-6-10-21(17)26(33)29-15-18-11-13-20(14-12-18)23-22(25(28)32)24(27)31(30-23)16-19-8-3-2-4-9-19;1-16-7-5-6-10-20(16)25(32)28-15-17-11-13-18(14-12-17)22-21(24(27)31)23(26)30(29-22)19-8-3-2-4-9-19;1-13(2)27-20(23)18(21(24)28)19(26-27)16-10-8-15(9-11-16)12-25-22(29)17-7-5-4-6-14(17)3/h2-13H,14,30H2,1H3,(H2,31,35)(H,32,36);5-7,10-14,19H,2-4,8-9,15-16,27H2,1H3,(H2,28,32)(H,29,33);5-7,10-14,19H,2-4,8-9,15,26H2,1H3,(H2,27,31)(H,28,32);4-11,13H,12,23H2,1-3H3,(H2,24,28)(H,25,29).
What are the key properties of 5-amino-1-cyclohexyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(cyclohexylmethyl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
5-amino-1-cyclohexyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(cyclohexylmethyl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide has a molecular weight of 1762.07 g/mol, XLogP of 15.55, 25 rotatable bonds, 12 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-cyclohexyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(cyclohexylmethyl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 158738363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).