5-amino-1-cyclopentyl-3-[4-[[(2,5-dimethylbenzoyl)amino]methyl]-3-fluorophenyl]pyrazole-4-carboxamide

C25H28FN5O2 — CID 157405663

IUPAC5-amino-1-cyclopentyl-3-[4-[[(2,5-dimethylbenzoyl)amino]methyl]-3-fluorophenyl]pyrazole-4-carboxamide
SMILESCc1ccc(C)c(C(=O)NCc2ccc(-c3nn(C4CCCC4)c(N)c3C(N)=O)cc2F)c1
InChIInChI=1S/C25H28FN5O2/c1-14-7-8-15(2)19(11-14)25(33)29-13-17-10-9-16(12-20(17)26)22-21(24(28)32)23(27)31(30-22)18-5-3-4-6-18/h7-12,18H,3-6,13,27H2,1-2H3,(H2,28,32)(H,29,33)
InChIKeyLQRDDLZOMXKRFH-UHFFFAOYSA-N
MW449.53 g/mol
LogP4.03
Rot. Bonds6

About 5-amino-1-cyclopentyl-3-[4-[[(2,5-dimethylbenzoyl)amino]methyl]-3-fluorophenyl]pyrazole-4-carboxamide

5-amino-1-cyclopentyl-3-[4-[[(2,5-dimethylbenzoyl)amino]methyl]-3-fluorophenyl]pyrazole-4-carboxamide (PubChem CID 157405663) has the molecular formula C25H28FN5O2 and a molecular weight of 449.53 g/mol. Its IUPAC name is 5-amino-1-cyclopentyl-3-[4-[[(2,5-dimethylbenzoyl)amino]methyl]-3-fluorophenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-cyclopentyl-3-[4-[[(2,5-dimethylbenzoyl)amino]methyl]-3-fluorophenyl]pyrazole-4-carboxamide
PubChem CID157405663
Molecular FormulaC25H28FN5O2
Molecular Weight449.53 g/mol
Exact Mass449.22
IUPAC Name5-amino-1-cyclopentyl-3-[4-[[(2,5-dimethylbenzoyl)amino]methyl]-3-fluorophenyl]pyrazole-4-carboxamide
SMILESCc1ccc(C)c(C(=O)NCc2ccc(-c3nn(C4CCCC4)c(N)c3C(N)=O)cc2F)c1
InChIInChI=1S/C25H28FN5O2/c1-14-7-8-15(2)19(11-14)25(33)29-13-17-10-9-16(12-20(17)26)22-21(24(28)32)23(27)31(30-22)18-5-3-4-6-18/h7-12,18H,3-6,13,27H2,1-2H3,(H2,28,32)(H,29,33)
InChIKeyLQRDDLZOMXKRFH-UHFFFAOYSA-N
XLogP4.03
TPSA116.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-1-cyclopentyl-3-[4-[[(2-methoxybenzoyl)amino]methyl]-3-methylphenyl]pyrazole-4-carboxamide
CID 129248030
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-[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
5-amino-1-cyclohexyl-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 129247863
N-[[4-[4-acetyl-5-amino-1-(oxolan-3-yl)pyrazol-3-yl]-2-fluorophenyl]methyl]-2-methoxybenzamide
CID 155106397
5-amino-1-cyclobutyl-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 129248209
5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-4-yl)pyrazole-4-carboxamide
CID 161120119
5-amino-1-cyclopentyl-3-[4-[2-hydroxy-1-[(2-methylbenzoyl)amino]ethyl]-3-methylphenyl]pyrazole-4-carboxamide
CID 157102700
5-amino-1-cyclohexyl-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;formaldehyde
CID 145332772
5-amino-1-cyclopentyl-3-[4-[1-hydroxy-2-[(2-methoxybenzoyl)amino]ethyl]-3-methylphenyl]pyrazole-4-carboxamide
CID 129248254
5-amino-3-[2-fluoro-4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-4-yl)pyrazole-4-carboxamide
CID 157183576
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

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-cyclopentyl-3-[4-[[(2,5-dimethylbenzoyl)amino]methyl]-3-fluorophenyl]pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-cyclopentyl-3-[4-[[(2,5-dimethylbenzoyl)amino]methyl]-3-fluorophenyl]pyrazole-4-carboxamide (CID 157405663) is 5-amino-1-cyclopentyl-3-[4-[[(2,5-dimethylbenzoyl)amino]methyl]-3-fluorophenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-cyclopentyl-3-[4-[[(2,5-dimethylbenzoyl)amino]methyl]-3-fluorophenyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-cyclopentyl-3-[4-[[(2,5-dimethylbenzoyl)amino]methyl]-3-fluorophenyl]pyrazole-4-carboxamide is Cc1ccc(C)c(C(=O)NCc2ccc(-c3nn(C4CCCC4)c(N)c3C(N)=O)cc2F)c1.
What is the InChIKey of 5-amino-1-cyclopentyl-3-[4-[[(2,5-dimethylbenzoyl)amino]methyl]-3-fluorophenyl]pyrazole-4-carboxamide?
The InChIKey is LQRDDLZOMXKRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN5O2/c1-14-7-8-15(2)19(11-14)25(33)29-13-17-10-9-16(12-20(17)26)22-21(24(28)32)23(27)31(30-22)18-5-3-4-6-18/h7-12,18H,3-6,13,27H2,1-2H3,(H2,28,32)(H,29,33).
What are the key properties of 5-amino-1-cyclopentyl-3-[4-[[(2,5-dimethylbenzoyl)amino]methyl]-3-fluorophenyl]pyrazole-4-carboxamide?
5-amino-1-cyclopentyl-3-[4-[[(2,5-dimethylbenzoyl)amino]methyl]-3-fluorophenyl]pyrazole-4-carboxamide has a molecular weight of 449.53 g/mol, XLogP of 4.03, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-cyclopentyl-3-[4-[[(2,5-dimethylbenzoyl)amino]methyl]-3-fluorophenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 157405663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).