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-pyridin-3-ylethyl)pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(1-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide

C77H84F3N17O7 — CID 158897744

IUPAC5-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-pyridin-3-ylethyl)pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(1-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide
SMILESCc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(C(C)C3CCCOC3)c(N)c2C(N)=O)cc1.Cc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(C(C)N3CCCC3)c(N)c2C(N)=O)cc1.Cc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(C(C)c3cccnc3)c(N)c2C(N)=O)cc1
InChIInChI=1S/C26H25FN6O2.C26H30FN5O3.C25H29FN6O2/c1-15-5-10-20(27)12-21(15)26(35)31-13-17-6-8-18(9-7-17)23-22(25(29)34)24(28)33(32-23)16(2)19-4-3-11-30-14-19;1-15-5-10-20(27)12-21(15)26(34)30-13-17-6-8-18(9-7-17)23-22(25(29)33)24(28)32(31-23)16(2)19-4-3-11-35-14-19;1-15-5-10-19(26)13-20(15)25(34)29-14-17-6-8-18(9-7-17)22-21(24(28)33)23(27)32(30-22)16(2)31-11-3-4-12-31/h3-12,14,16H,13,28H2,1-2H3,(H2,29,34)(H,31,35);5-10,12,16,19H,3-4,11,13-14,28H2,1-2H3,(H2,29,33)(H,30,34);5-10,13,16H,3-4,11-12,14,27H2,1-2H3,(H2,28,33)(H,29,34)
InChIKeyJFAWEFXRJWSTKI-UHFFFAOYSA-N
MW1416.62 g/mol
LogP10.43
Rot. Bonds21

About 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-pyridin-3-ylethyl)pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(1-pyrrolidin-1-ylethyl)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-pyridin-3-ylethyl)pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(1-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide (PubChem CID 158897744) has the molecular formula C77H84F3N17O7 and a molecular weight of 1416.62 g/mol. Its IUPAC name is 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-pyridin-3-ylethyl)pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(1-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-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-pyridin-3-ylethyl)pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(1-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide
PubChem CID158897744
Molecular FormulaC77H84F3N17O7
Molecular Weight1416.62 g/mol
Exact Mass1415.67
IUPAC Name5-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-pyridin-3-ylethyl)pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(1-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide
SMILESCc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(C(C)C3CCCOC3)c(N)c2C(N)=O)cc1.Cc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(C(C)N3CCCC3)c(N)c2C(N)=O)cc1.Cc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(C(C)c3cccnc3)c(N)c2C(N)=O)cc1
InChIInChI=1S/C26H25FN6O2.C26H30FN5O3.C25H29FN6O2/c1-15-5-10-20(27)12-21(15)26(35)31-13-17-6-8-18(9-7-17)23-22(25(29)34)24(28)33(32-23)16(2)19-4-3-11-30-14-19;1-15-5-10-20(27)12-21(15)26(34)30-13-17-6-8-18(9-7-17)23-22(25(29)33)24(28)32(31-23)16(2)19-4-3-11-35-14-19;1-15-5-10-19(26)13-20(15)25(34)29-14-17-6-8-18(9-7-17)22-21(24(28)33)23(27)32(30-22)16(2)31-11-3-4-12-31/h3-12,14,16H,13,28H2,1-2H3,(H2,29,34)(H,31,35);5-10,12,16,19H,3-4,11,13-14,28H2,1-2H3,(H2,29,33)(H,30,34);5-10,13,16H,3-4,11-12,14,27H2,1-2H3,(H2,28,33)(H,29,34)
InChIKeyJFAWEFXRJWSTKI-UHFFFAOYSA-N
XLogP10.43
TPSA373.45 Ų
H-Bond Donors9
H-Bond Acceptors18
Rotatable Bonds21
Heavy Atoms104
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001416.62
LogP ≤ 510.43
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1018

Analyze 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-pyridin-3-ylethyl)pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(1-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-(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-(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-3-[3-fluoro-4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-[2-(trifluoromethyl)oxan-4-yl]pyrazole-4-carboxamide;5-(methylamino)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-pyridin-3-ylpyrazole-4-carboxamide;5-methyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide
CID 157710263
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
5-Amino-1-[2-(methoxymethoxy)ethyl]-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-[(3-methyloxetan-3-yl)methyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 158475313
5-Amino-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(2-methylpropyl)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 158487715
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;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(1-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide
CID 158501005
CID 158547267
CID 158547267
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
5-Amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-[2-(trifluoromethyl)oxan-4-yl]pyrazole-4-carboxamide;5-methyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide
CID 159108628

Frequently Asked Questions

What is the IUPAC name of 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-pyridin-3-ylethyl)pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(1-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide?
The IUPAC name of 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-pyridin-3-ylethyl)pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(1-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide (CID 158897744) is 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-pyridin-3-ylethyl)pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(1-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 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-pyridin-3-ylethyl)pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(1-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide?
The canonical SMILES for 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-pyridin-3-ylethyl)pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(1-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide is Cc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(C(C)C3CCCOC3)c(N)c2C(N)=O)cc1.Cc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(C(C)N3CCCC3)c(N)c2C(N)=O)cc1.Cc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(C(C)c3cccnc3)c(N)c2C(N)=O)cc1.
What is the InChIKey of 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-pyridin-3-ylethyl)pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(1-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide?
The InChIKey is JFAWEFXRJWSTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN6O2.C26H30FN5O3.C25H29FN6O2/c1-15-5-10-20(27)12-21(15)26(35)31-13-17-6-8-18(9-7-17)23-22(25(29)34)24(28)33(32-23)16(2)19-4-3-11-30-14-19;1-15-5-10-20(27)12-21(15)26(34)30-13-17-6-8-18(9-7-17)23-22(25(29)33)24(28)32(31-23)16(2)19-4-3-11-35-14-19;1-15-5-10-19(26)13-20(15)25(34)29-14-17-6-8-18(9-7-17)22-21(24(28)33)23(27)32(30-22)16(2)31-11-3-4-12-31/h3-12,14,16H,13,28H2,1-2H3,(H2,29,34)(H,31,35);5-10,12,16,19H,3-4,11,13-14,28H2,1-2H3,(H2,29,33)(H,30,34);5-10,13,16H,3-4,11-12,14,27H2,1-2H3,(H2,28,33)(H,29,34).
What are the key properties of 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-pyridin-3-ylethyl)pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(1-pyrrolidin-1-ylethyl)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-pyridin-3-ylethyl)pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(1-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide has a molecular weight of 1416.62 g/mol, XLogP of 10.43, 21 rotatable bonds, 9 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 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-pyridin-3-ylethyl)pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(1-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 158897744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).