5-amino-1-cyclopentyl-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(2-methyloxolan-3-yl)pyrazole-4-carboxamide;5-chloro-1-cyclopentyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide

C72H77ClF2N14O7 — CID 157084318

IUPAC5-amino-1-cyclopentyl-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(2-methyloxolan-3-yl)pyrazole-4-carboxamide;5-chloro-1-cyclopentyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
SMILESCc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(C3CCCC3)c(N)c2C(N)=O)cc1F.Cc1ccccc1C(=O)NCc1ccc(-c2nn(C3CCCC3)c(Cl)c2C(N)=O)cc1.Cc1ccccc1C(=O)NCc1ccc(-c2nn(C3CCOC3C)c(N)c2C(N)=O)cc1
InChIInChI=1S/C24H25ClN4O2.C24H25F2N5O2.C24H27N5O3/c1-15-6-2-5-9-19(15)24(31)27-14-16-10-12-17(13-11-16)21-20(23(26)30)22(25)29(28-21)18-7-3-4-8-18;1-13-6-9-16(25)11-18(13)24(33)29-12-15-8-7-14(10-19(15)26)21-20(23(28)32)22(27)31(30-21)17-4-2-3-5-17;1-14-5-3-4-6-18(14)24(31)27-13-16-7-9-17(10-8-16)21-20(23(26)30)22(25)29(28-21)19-11-12-32-15(19)2/h2,5-6,9-13,18H,3-4,7-8,14H2,1H3,(H2,26,30)(H,27,31);6-11,17H,2-5,12,27H2,1H3,(H2,28,32)(H,29,33);3-10,15,19H,11-13,25H2,1-2H3,(H2,26,30)(H,27,31)
InChIKeyADXLGZWFBOCFBL-UHFFFAOYSA-N
MW1323.95 g/mol
LogP11.34
Rot. Bonds18

About 5-amino-1-cyclopentyl-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(2-methyloxolan-3-yl)pyrazole-4-carboxamide;5-chloro-1-cyclopentyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide

5-amino-1-cyclopentyl-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(2-methyloxolan-3-yl)pyrazole-4-carboxamide;5-chloro-1-cyclopentyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide (PubChem CID 157084318) has the molecular formula C72H77ClF2N14O7 and a molecular weight of 1323.95 g/mol. Its IUPAC name is 5-amino-1-cyclopentyl-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(2-methyloxolan-3-yl)pyrazole-4-carboxamide;5-chloro-1-cyclopentyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-cyclopentyl-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(2-methyloxolan-3-yl)pyrazole-4-carboxamide;5-chloro-1-cyclopentyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
PubChem CID157084318
Molecular FormulaC72H77ClF2N14O7
Molecular Weight1323.95 g/mol
Exact Mass1322.58
IUPAC Name5-amino-1-cyclopentyl-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(2-methyloxolan-3-yl)pyrazole-4-carboxamide;5-chloro-1-cyclopentyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
SMILESCc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(C3CCCC3)c(N)c2C(N)=O)cc1F.Cc1ccccc1C(=O)NCc1ccc(-c2nn(C3CCCC3)c(Cl)c2C(N)=O)cc1.Cc1ccccc1C(=O)NCc1ccc(-c2nn(C3CCOC3C)c(N)c2C(N)=O)cc1
InChIInChI=1S/C24H25ClN4O2.C24H25F2N5O2.C24H27N5O3/c1-15-6-2-5-9-19(15)24(31)27-14-16-10-12-17(13-11-16)21-20(23(26)30)22(25)29(28-21)18-7-3-4-8-18;1-13-6-9-16(25)11-18(13)24(33)29-12-15-8-7-14(10-19(15)26)21-20(23(28)32)22(27)31(30-21)17-4-2-3-5-17;1-14-5-3-4-6-18(14)24(31)27-13-16-7-9-17(10-8-16)21-20(23(26)30)22(25)29(28-21)19-11-12-32-15(19)2/h2,5-6,9-13,18H,3-4,7-8,14H2,1H3,(H2,26,30)(H,27,31);6-11,17H,2-5,12,27H2,1H3,(H2,28,32)(H,29,33);3-10,15,19H,11-13,25H2,1-2H3,(H2,26,30)(H,27,31)
InChIKeyADXLGZWFBOCFBL-UHFFFAOYSA-N
XLogP11.34
TPSA331.30 Ų
H-Bond Donors8
H-Bond Acceptors15
Rotatable Bonds18
Heavy Atoms96
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001323.95
LogP ≤ 511.34
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1015

Analyze 5-amino-1-cyclopentyl-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(2-methyloxolan-3-yl)pyrazole-4-carboxamide;5-chloro-1-cyclopentyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide with MolForge

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Related Compounds

5-amino-1-cyclopentyl-3-[4-[[(2,5-dimethylbenzoyl)amino]methyl]-3-fluorophenyl]pyrazole-4-carboxamide
CID 157405663
5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-4-yl)pyrazole-4-carboxamide
CID 161120119
5-amino-3-[2-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide;5-amino-3-[2-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-4-yl)pyrazole-4-carboxamide;5-amino-3-[2-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide;5-methyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-4-yl)pyrazole-4-carboxamide
CID 161467433
5-amino-3-[3-fluoro-4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-1-(oxan-4-yl)pyrazole-4-carboxamide
CID 129248228
5-amino-1-cyclopentyl-3-[4-[[(2-methoxybenzoyl)amino]methyl]-3-methylphenyl]pyrazole-4-carboxamide
CID 129248030
5-amino-1-cyclohexyl-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 129247863
5-amino-1-(3-fluorophenyl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-methyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;ethyl 5-amino-1-cyclopentyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxylate
CID 163687177
5-amino-3-[2-fluoro-4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-4-yl)pyrazole-4-carboxamide
CID 157183576
5-amino-1-cyclobutyl-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 129248209
5-amino-1-cyclohexyl-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;formaldehyde
CID 145332772
5-amino-1-cyclopentyl-3-[2-methyl-4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[2-fluoro-4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-4-yl)pyrazole-4-carboxamide;5-amino-3-[2-fluoro-4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide
CID 157183574
5-amino-1-(4-hydroxycyclohexyl)-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 163600712

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-cyclopentyl-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(2-methyloxolan-3-yl)pyrazole-4-carboxamide;5-chloro-1-cyclopentyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-cyclopentyl-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(2-methyloxolan-3-yl)pyrazole-4-carboxamide;5-chloro-1-cyclopentyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide (CID 157084318) is 5-amino-1-cyclopentyl-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(2-methyloxolan-3-yl)pyrazole-4-carboxamide;5-chloro-1-cyclopentyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-cyclopentyl-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(2-methyloxolan-3-yl)pyrazole-4-carboxamide;5-chloro-1-cyclopentyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-cyclopentyl-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(2-methyloxolan-3-yl)pyrazole-4-carboxamide;5-chloro-1-cyclopentyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide is Cc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(C3CCCC3)c(N)c2C(N)=O)cc1F.Cc1ccccc1C(=O)NCc1ccc(-c2nn(C3CCCC3)c(Cl)c2C(N)=O)cc1.Cc1ccccc1C(=O)NCc1ccc(-c2nn(C3CCOC3C)c(N)c2C(N)=O)cc1.
What is the InChIKey of 5-amino-1-cyclopentyl-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(2-methyloxolan-3-yl)pyrazole-4-carboxamide;5-chloro-1-cyclopentyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide?
The InChIKey is ADXLGZWFBOCFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O2.C24H25F2N5O2.C24H27N5O3/c1-15-6-2-5-9-19(15)24(31)27-14-16-10-12-17(13-11-16)21-20(23(26)30)22(25)29(28-21)18-7-3-4-8-18;1-13-6-9-16(25)11-18(13)24(33)29-12-15-8-7-14(10-19(15)26)21-20(23(28)32)22(27)31(30-21)17-4-2-3-5-17;1-14-5-3-4-6-18(14)24(31)27-13-16-7-9-17(10-8-16)21-20(23(26)30)22(25)29(28-21)19-11-12-32-15(19)2/h2,5-6,9-13,18H,3-4,7-8,14H2,1H3,(H2,26,30)(H,27,31);6-11,17H,2-5,12,27H2,1H3,(H2,28,32)(H,29,33);3-10,15,19H,11-13,25H2,1-2H3,(H2,26,30)(H,27,31).
What are the key properties of 5-amino-1-cyclopentyl-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(2-methyloxolan-3-yl)pyrazole-4-carboxamide;5-chloro-1-cyclopentyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide?
5-amino-1-cyclopentyl-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(2-methyloxolan-3-yl)pyrazole-4-carboxamide;5-chloro-1-cyclopentyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide has a molecular weight of 1323.95 g/mol, XLogP of 11.34, 18 rotatable bonds, 8 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-cyclopentyl-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(2-methyloxolan-3-yl)pyrazole-4-carboxamide;5-chloro-1-cyclopentyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 157084318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).