5-amino-1-cyclopentyl-3-[4-[2-hydroxy-1-[(2-methylbenzoyl)amino]ethyl]-3-methylphenyl]pyrazole-4-carboxamide;5-amino-1-(3,3-difluoropiperidin-4-yl)-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-4-yl)ethyl]pyrazole-4-carboxamide

C76H86F4N16O8 — CID 158040544

IUPAC5-amino-1-cyclopentyl-3-[4-[2-hydroxy-1-[(2-methylbenzoyl)amino]ethyl]-3-methylphenyl]pyrazole-4-carboxamide;5-amino-1-(3,3-difluoropiperidin-4-yl)-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-4-yl)ethyl]pyrazole-4-carboxamide
SMILESCc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(C(C)C3CCOCC3)c(N)c2C(N)=O)cc1.Cc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(C3CCNCC3(F)F)c(N)c2C(N)=O)cc1.Cc1ccccc1C(=O)NC(CO)c1ccc(-c2nn(C3CCCC3)c(N)c2C(N)=O)cc1C
InChIInChI=1S/C26H30FN5O3.C26H31N5O3.C24H25F3N6O2/c1-15-3-8-20(27)13-21(15)26(34)30-14-17-4-6-19(7-5-17)23-22(25(29)33)24(28)32(31-23)16(2)18-9-11-35-12-10-18;1-15-7-3-6-10-20(15)26(34)29-21(14-32)19-12-11-17(13-16(19)2)23-22(25(28)33)24(27)31(30-23)18-8-4-5-9-18;1-13-2-7-16(25)10-17(13)23(35)31-11-14-3-5-15(6-4-14)20-19(22(29)34)21(28)33(32-20)18-8-9-30-12-24(18,26)27/h3-8,13,16,18H,9-12,14,28H2,1-2H3,(H2,29,33)(H,30,34);3,6-7,10-13,18,21,32H,4-5,8-9,14,27H2,1-2H3,(H2,28,33)(H,29,34);2-7,10,18,30H,8-9,11-12,28H2,1H3,(H2,29,34)(H,31,35)
InChIKeyFIHLEGNJIQPMIT-UHFFFAOYSA-N
MW1427.62 g/mol
LogP9.80
Rot. Bonds20

About 5-amino-1-cyclopentyl-3-[4-[2-hydroxy-1-[(2-methylbenzoyl)amino]ethyl]-3-methylphenyl]pyrazole-4-carboxamide;5-amino-1-(3,3-difluoropiperidin-4-yl)-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-4-yl)ethyl]pyrazole-4-carboxamide

5-amino-1-cyclopentyl-3-[4-[2-hydroxy-1-[(2-methylbenzoyl)amino]ethyl]-3-methylphenyl]pyrazole-4-carboxamide;5-amino-1-(3,3-difluoropiperidin-4-yl)-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-4-yl)ethyl]pyrazole-4-carboxamide (PubChem CID 158040544) has the molecular formula C76H86F4N16O8 and a molecular weight of 1427.62 g/mol. Its IUPAC name is 5-amino-1-cyclopentyl-3-[4-[2-hydroxy-1-[(2-methylbenzoyl)amino]ethyl]-3-methylphenyl]pyrazole-4-carboxamide;5-amino-1-(3,3-difluoropiperidin-4-yl)-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-4-yl)ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-cyclopentyl-3-[4-[2-hydroxy-1-[(2-methylbenzoyl)amino]ethyl]-3-methylphenyl]pyrazole-4-carboxamide;5-amino-1-(3,3-difluoropiperidin-4-yl)-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-4-yl)ethyl]pyrazole-4-carboxamide
PubChem CID158040544
Molecular FormulaC76H86F4N16O8
Molecular Weight1427.62 g/mol
Exact Mass1426.68
IUPAC Name5-amino-1-cyclopentyl-3-[4-[2-hydroxy-1-[(2-methylbenzoyl)amino]ethyl]-3-methylphenyl]pyrazole-4-carboxamide;5-amino-1-(3,3-difluoropiperidin-4-yl)-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-4-yl)ethyl]pyrazole-4-carboxamide
SMILESCc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(C(C)C3CCOCC3)c(N)c2C(N)=O)cc1.Cc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(C3CCNCC3(F)F)c(N)c2C(N)=O)cc1.Cc1ccccc1C(=O)NC(CO)c1ccc(-c2nn(C3CCCC3)c(N)c2C(N)=O)cc1C
InChIInChI=1S/C26H30FN5O3.C26H31N5O3.C24H25F3N6O2/c1-15-3-8-20(27)13-21(15)26(34)30-14-17-4-6-19(7-5-17)23-22(25(29)33)24(28)32(31-23)16(2)18-9-11-35-12-10-18;1-15-7-3-6-10-20(15)26(34)29-21(14-32)19-12-11-17(13-16(19)2)23-22(25(28)33)24(27)31(30-23)18-8-4-5-9-18;1-13-2-7-16(25)10-17(13)23(35)31-11-14-3-5-15(6-4-14)20-19(22(29)34)21(28)33(32-20)18-8-9-30-12-24(18,26)27/h3-8,13,16,18H,9-12,14,28H2,1-2H3,(H2,29,33)(H,30,34);3,6-7,10-13,18,21,32H,4-5,8-9,14,27H2,1-2H3,(H2,28,33)(H,29,34);2-7,10,18,30H,8-9,11-12,28H2,1H3,(H2,29,34)(H,31,35)
InChIKeyFIHLEGNJIQPMIT-UHFFFAOYSA-N
XLogP9.80
TPSA389.58 Ų
H-Bond Donors11
H-Bond Acceptors18
Rotatable Bonds20
Heavy Atoms104
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001427.62
LogP ≤ 59.80
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1018

Analyze 5-amino-1-cyclopentyl-3-[4-[2-hydroxy-1-[(2-methylbenzoyl)amino]ethyl]-3-methylphenyl]pyrazole-4-carboxamide;5-amino-1-(3,3-difluoropiperidin-4-yl)-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-4-yl)ethyl]pyrazole-4-carboxamide with MolForge

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Related Compounds

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-(cyclohexylmethyl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-cyclopentyl-3-[4-[2-hydroxy-1-[(2-methylbenzoyl)amino]ethyl]-3-methylphenyl]pyrazole-4-carboxamide;5-amino-1-cyclopentyl-N-methyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-[[(3R)-piperidin-3-yl]methyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(2,2,2-trifluoroacetyl)pyrazole-4-carboxamide
CID 157429681
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-(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
5-Amino-1-(3,3-difluoro-1-methylpiperidin-4-yl)-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-[3,3-difluoro-1-(oxetan-3-yl)piperidin-4-yl]-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(1-ethyl-3,3-difluoropiperidin-4-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 157772276
5-Amino-1-[3,3-difluoro-1-(oxetan-3-yl)piperidin-4-yl]-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(4,4-difluoropiperidin-3-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(1-ethyl-3,3-difluoropiperidin-4-yl)-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 157900676
5-Amino-1-[3,3-difluoro-1-(oxetan-3-yl)piperidin-4-yl]-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(4,4-difluoropiperidin-3-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 157965561
5-Amino-3-[2,3-difluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide;5-amino-3-[3,5-difluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide;5-amino-3-[2,3-difluoro-4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide;5-amino-1-(4,4-difluoropyrrolidin-3-yl)-3-[3-fluoro-4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 158057303
5-Amino-1-(1,1-difluoropropan-2-yl)-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-(oxolan-3-yl)ethyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide
CID 158264425
CID 158410468
CID 158410468

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-cyclopentyl-3-[4-[2-hydroxy-1-[(2-methylbenzoyl)amino]ethyl]-3-methylphenyl]pyrazole-4-carboxamide;5-amino-1-(3,3-difluoropiperidin-4-yl)-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-4-yl)ethyl]pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-cyclopentyl-3-[4-[2-hydroxy-1-[(2-methylbenzoyl)amino]ethyl]-3-methylphenyl]pyrazole-4-carboxamide;5-amino-1-(3,3-difluoropiperidin-4-yl)-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-4-yl)ethyl]pyrazole-4-carboxamide (CID 158040544) is 5-amino-1-cyclopentyl-3-[4-[2-hydroxy-1-[(2-methylbenzoyl)amino]ethyl]-3-methylphenyl]pyrazole-4-carboxamide;5-amino-1-(3,3-difluoropiperidin-4-yl)-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-4-yl)ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-cyclopentyl-3-[4-[2-hydroxy-1-[(2-methylbenzoyl)amino]ethyl]-3-methylphenyl]pyrazole-4-carboxamide;5-amino-1-(3,3-difluoropiperidin-4-yl)-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-4-yl)ethyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-cyclopentyl-3-[4-[2-hydroxy-1-[(2-methylbenzoyl)amino]ethyl]-3-methylphenyl]pyrazole-4-carboxamide;5-amino-1-(3,3-difluoropiperidin-4-yl)-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-4-yl)ethyl]pyrazole-4-carboxamide is Cc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(C(C)C3CCOCC3)c(N)c2C(N)=O)cc1.Cc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(C3CCNCC3(F)F)c(N)c2C(N)=O)cc1.Cc1ccccc1C(=O)NC(CO)c1ccc(-c2nn(C3CCCC3)c(N)c2C(N)=O)cc1C.
What is the InChIKey of 5-amino-1-cyclopentyl-3-[4-[2-hydroxy-1-[(2-methylbenzoyl)amino]ethyl]-3-methylphenyl]pyrazole-4-carboxamide;5-amino-1-(3,3-difluoropiperidin-4-yl)-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-4-yl)ethyl]pyrazole-4-carboxamide?
The InChIKey is FIHLEGNJIQPMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN5O3.C26H31N5O3.C24H25F3N6O2/c1-15-3-8-20(27)13-21(15)26(34)30-14-17-4-6-19(7-5-17)23-22(25(29)33)24(28)32(31-23)16(2)18-9-11-35-12-10-18;1-15-7-3-6-10-20(15)26(34)29-21(14-32)19-12-11-17(13-16(19)2)23-22(25(28)33)24(27)31(30-23)18-8-4-5-9-18;1-13-2-7-16(25)10-17(13)23(35)31-11-14-3-5-15(6-4-14)20-19(22(29)34)21(28)33(32-20)18-8-9-30-12-24(18,26)27/h3-8,13,16,18H,9-12,14,28H2,1-2H3,(H2,29,33)(H,30,34);3,6-7,10-13,18,21,32H,4-5,8-9,14,27H2,1-2H3,(H2,28,33)(H,29,34);2-7,10,18,30H,8-9,11-12,28H2,1H3,(H2,29,34)(H,31,35).
What are the key properties of 5-amino-1-cyclopentyl-3-[4-[2-hydroxy-1-[(2-methylbenzoyl)amino]ethyl]-3-methylphenyl]pyrazole-4-carboxamide;5-amino-1-(3,3-difluoropiperidin-4-yl)-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-4-yl)ethyl]pyrazole-4-carboxamide?
5-amino-1-cyclopentyl-3-[4-[2-hydroxy-1-[(2-methylbenzoyl)amino]ethyl]-3-methylphenyl]pyrazole-4-carboxamide;5-amino-1-(3,3-difluoropiperidin-4-yl)-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-4-yl)ethyl]pyrazole-4-carboxamide has a molecular weight of 1427.62 g/mol, XLogP of 9.80, 20 rotatable bonds, 11 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-cyclopentyl-3-[4-[2-hydroxy-1-[(2-methylbenzoyl)amino]ethyl]-3-methylphenyl]pyrazole-4-carboxamide;5-amino-1-(3,3-difluoropiperidin-4-yl)-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-4-yl)ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 158040544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).