3-[(1-benzylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid

C17H19N3O3 — CID 75498105

IUPAC3-[(1-benzylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)C1)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C17H19N3O3/c21-16(19-15-7-6-13(8-15)17(22)23)14-9-18-20(11-14)10-12-4-2-1-3-5-12/h1-5,9,11,13,15H,6-8,10H2,(H,19,21)(H,22,23)
InChIKeySLKRAXLAOJSCIE-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.91
Rot. Bonds5

About 3-[(1-benzylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid

3-[(1-benzylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 75498105) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 3-[(1-benzylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(1-benzylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID75498105
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name3-[(1-benzylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)C1)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C17H19N3O3/c21-16(19-15-7-6-13(8-15)17(22)23)14-9-18-20(11-14)10-12-4-2-1-3-5-12/h1-5,9,11,13,15H,6-8,10H2,(H,19,21)(H,22,23)
InChIKeySLKRAXLAOJSCIE-UHFFFAOYSA-N
XLogP1.91
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-cyclohexylpyrazole-4-carboxamide
CID 40710526
1-benzyl-N-[(3S)-1,1-dioxothiolan-3-yl]pyrazole-4-carboxamide
CID 27710840
1-benzylpyrazole-4-carbohydrazide
CID 83386286
1-benzyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 86997426
1-[(2-chlorophenyl)methyl]-N-(4-hydroxycyclohexyl)pyrazole-4-carboxamide
CID 75361341
1-benzyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrazole-4-carboxamide
CID 111696717
1-benzyl-N-(2-methylpiperidin-3-yl)pyrazole-4-carboxamide;hydrochloride
CID 120574286
4-[(1-propylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120524563
1-[(2-chlorophenyl)methyl]-N-cyclopentylpyrazole-4-carboxamide
CID 25392689
cis-(1R,3S)-3-[(2-benzyl-1,3-dioxoisoindole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120678402
2-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 166296160
1-benzyl-N-[3-[(1,1-dioxothiolan-3-yl)amino]-3-oxopropyl]pyrazole-4-carboxamide
CID 47031666

Frequently Asked Questions

What is the IUPAC name of 3-[(1-benzylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(1-benzylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 75498105) is 3-[(1-benzylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(1-benzylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(1-benzylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid is O=C(NC1CCC(C(=O)O)C1)c1cnn(Cc2ccccc2)c1.
What is the InChIKey of 3-[(1-benzylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is SLKRAXLAOJSCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c21-16(19-15-7-6-13(8-15)17(22)23)14-9-18-20(11-14)10-12-4-2-1-3-5-12/h1-5,9,11,13,15H,6-8,10H2,(H,19,21)(H,22,23).
What are the key properties of 3-[(1-benzylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid?
3-[(1-benzylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 313.36 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-benzylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 75498105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).