4-amino-3-cyclopentyl-1-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-5-carboxylic acid

C24H25FN4O4 — CID 164784378

IUPAC4-amino-3-cyclopentyl-1-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-5-carboxylic acid
SMILESCOc1ccc(F)cc1C(=O)NCc1ccc(-n2nc(C3CCCC3)c(N)c2C(=O)O)cc1
InChIInChI=1S/C24H25FN4O4/c1-33-19-11-8-16(25)12-18(19)23(30)27-13-14-6-9-17(10-7-14)29-22(24(31)32)20(26)21(28-29)15-4-2-3-5-15/h6-12,15H,2-5,13,26H2,1H3,(H,27,30)(H,31,32)
InChIKeySCWRZKRAINFVBH-UHFFFAOYSA-N
MW452.49 g/mol
LogP3.89
Rot. Bonds7

About 4-amino-3-cyclopentyl-1-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-5-carboxylic acid

4-amino-3-cyclopentyl-1-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-5-carboxylic acid (PubChem CID 164784378) has the molecular formula C24H25FN4O4 and a molecular weight of 452.49 g/mol. Its IUPAC name is 4-amino-3-cyclopentyl-1-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-amino-3-cyclopentyl-1-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-5-carboxylic acid
PubChem CID164784378
Molecular FormulaC24H25FN4O4
Molecular Weight452.49 g/mol
Exact Mass452.19
IUPAC Name4-amino-3-cyclopentyl-1-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-5-carboxylic acid
SMILESCOc1ccc(F)cc1C(=O)NCc1ccc(-n2nc(C3CCCC3)c(N)c2C(=O)O)cc1
InChIInChI=1S/C24H25FN4O4/c1-33-19-11-8-16(25)12-18(19)23(30)27-13-14-6-9-17(10-7-14)29-22(24(31)32)20(26)21(28-29)15-4-2-3-5-15/h6-12,15H,2-5,13,26H2,1H3,(H,27,30)(H,31,32)
InChIKeySCWRZKRAINFVBH-UHFFFAOYSA-N
XLogP3.89
TPSA119.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.49
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-1-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]-3-(oxolan-3-yl)pyrazole-5-carboxamide
CID 164784429
N-[[4-(4-amino-3-cyclopentylpyrazol-1-yl)phenyl]methyl]-5-fluoro-2-methoxybenzamide
CID 166519054
4-amino-3-cyclopentyl-1-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-5-carboxamide
CID 165036856
4-amino-1-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-3-(oxan-4-yl)pyrazole-5-carboxylic acid
CID 165037096
4-amino-1-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]-3-thiophen-2-ylpyrazole-5-carboxylic acid
CID 164784428
4-amino-1-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-3-(4-hydroxycyclohexyl)pyrazole-5-carboxamide;methane
CID 164992271
3-amino-2-cyclopentyl-5-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]imidazole-4-carboxamide
CID 163288215
4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]benzoic acid
CID 162755933
2-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-7-methyl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxylic acid
CID 164954047
N-[[4-[4-amino-7-(4-hydroxycyclohexyl)pyrrolo[3,2-d]pyrimidin-5-yl]phenyl]methyl]-5-fluoro-2-methoxybenzamide
CID 167439428
4-amino-3-(4,4-difluorocyclohexyl)-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]phenyl]pyrazole-5-carboxamide
CID 164996421
N-[[4-[5-amino-4-(aminomethyl)-1-cyclopentylpyrazol-3-yl]-3-fluorophenyl]methyl]-5-fluoro-2-methoxybenzamide
CID 170415627

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-cyclopentyl-1-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-5-carboxylic acid?
The IUPAC name of 4-amino-3-cyclopentyl-1-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-5-carboxylic acid (CID 164784378) is 4-amino-3-cyclopentyl-1-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-5-carboxylic acid.
What is the SMILES notation for 4-amino-3-cyclopentyl-1-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-5-carboxylic acid?
The canonical SMILES for 4-amino-3-cyclopentyl-1-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-5-carboxylic acid is COc1ccc(F)cc1C(=O)NCc1ccc(-n2nc(C3CCCC3)c(N)c2C(=O)O)cc1.
What is the InChIKey of 4-amino-3-cyclopentyl-1-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-5-carboxylic acid?
The InChIKey is SCWRZKRAINFVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O4/c1-33-19-11-8-16(25)12-18(19)23(30)27-13-14-6-9-17(10-7-14)29-22(24(31)32)20(26)21(28-29)15-4-2-3-5-15/h6-12,15H,2-5,13,26H2,1H3,(H,27,30)(H,31,32).
What are the key properties of 4-amino-3-cyclopentyl-1-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-5-carboxylic acid?
4-amino-3-cyclopentyl-1-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-5-carboxylic acid has a molecular weight of 452.49 g/mol, XLogP of 3.89, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-cyclopentyl-1-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-5-carboxylic acid is sourced from PubChem (CID 164784378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).