4-methyl-2-(1H-pyrazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid

C12H17N3O3 — CID 114390788

IUPAC4-methyl-2-(1H-pyrazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESCC1CC(C(=O)O)C(C(=O)NCc2ccn[nH]2)C1
InChIInChI=1S/C12H17N3O3/c1-7-4-9(10(5-7)12(17)18)11(16)13-6-8-2-3-14-15-8/h2-3,7,9-10H,4-6H2,1H3,(H,13,16)(H,14,15)(H,17,18)
InChIKeyNUDNUFZQFDFMFN-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.77
Rot. Bonds4

About 4-methyl-2-(1H-pyrazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid

4-methyl-2-(1H-pyrazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid (PubChem CID 114390788) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-methyl-2-(1H-pyrazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-(1H-pyrazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
PubChem CID114390788
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name4-methyl-2-(1H-pyrazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESCC1CC(C(=O)O)C(C(=O)NCc2ccn[nH]2)C1
InChIInChI=1S/C12H17N3O3/c1-7-4-9(10(5-7)12(17)18)11(16)13-6-8-2-3-14-15-8/h2-3,7,9-10H,4-6H2,1H3,(H,13,16)(H,14,15)(H,17,18)
InChIKeyNUDNUFZQFDFMFN-UHFFFAOYSA-N
XLogP0.77
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-pyrazol-5-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 61283327
N-(1H-pyrazol-5-ylmethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 61284123
2-methyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide
CID 106739789
2-(1H-imidazol-2-ylmethylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid
CID 114391069
4-amino-N-(1H-pyrazol-5-ylmethyl)oxolane-3-carboxamide
CID 66236271
4-methyl-2-[(2-methylpyrazol-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114390996
cis-(1R,2S)-4-methyl-2-(1H-pyrrol-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114181906
cis-(1R,2S)-2-N-(4-chlorophenyl)-1-N-(1H-pyrazol-5-ylmethyl)cyclohexane-1,2-dicarboxamide
CID 164642855
5-oxo-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide
CID 78983105
4-methyl-2-(1,3-thiazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114391406
1-acetyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide
CID 60976301
(3S)-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide
CID 94916818

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(1H-pyrazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 4-methyl-2-(1H-pyrazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid (CID 114390788) is 4-methyl-2-(1H-pyrazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 4-methyl-2-(1H-pyrazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 4-methyl-2-(1H-pyrazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid is CC1CC(C(=O)O)C(C(=O)NCc2ccn[nH]2)C1.
What is the InChIKey of 4-methyl-2-(1H-pyrazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid?
The InChIKey is NUDNUFZQFDFMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-7-4-9(10(5-7)12(17)18)11(16)13-6-8-2-3-14-15-8/h2-3,7,9-10H,4-6H2,1H3,(H,13,16)(H,14,15)(H,17,18).
What are the key properties of 4-methyl-2-(1H-pyrazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid?
4-methyl-2-(1H-pyrazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid has a molecular weight of 251.29 g/mol, XLogP of 0.77, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(1H-pyrazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114390788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).