2-[1-[(2,5-dimethylpyrazole-3-carbonyl)amino]cyclopentyl]acetic acid

C13H19N3O3 — CID 66127117

IUPAC2-[1-[(2,5-dimethylpyrazole-3-carbonyl)amino]cyclopentyl]acetic acid
SMILESCc1cc(C(=O)NC2(CC(=O)O)CCCC2)n(C)n1
InChIInChI=1S/C13H19N3O3/c1-9-7-10(16(2)15-9)12(19)14-13(8-11(17)18)5-3-4-6-13/h7H,3-6,8H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyDEISWVXKVHOWFY-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.25
Rot. Bonds4

About 2-[1-[(2,5-dimethylpyrazole-3-carbonyl)amino]cyclopentyl]acetic acid

2-[1-[(2,5-dimethylpyrazole-3-carbonyl)amino]cyclopentyl]acetic acid (PubChem CID 66127117) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[1-[(2,5-dimethylpyrazole-3-carbonyl)amino]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2,5-dimethylpyrazole-3-carbonyl)amino]cyclopentyl]acetic acid
PubChem CID66127117
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-[1-[(2,5-dimethylpyrazole-3-carbonyl)amino]cyclopentyl]acetic acid
SMILESCc1cc(C(=O)NC2(CC(=O)O)CCCC2)n(C)n1
InChIInChI=1S/C13H19N3O3/c1-9-7-10(16(2)15-9)12(19)14-13(8-11(17)18)5-3-4-6-13/h7H,3-6,8H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyDEISWVXKVHOWFY-UHFFFAOYSA-N
XLogP1.25
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(bromomethyl)-3-methylcyclohexyl]-2,5-dimethylpyrazole-3-carboxamide
CID 114314734
2-[1-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]cyclohexyl]acetic acid
CID 64671752
2-ethyl-N-[1-(hydroxymethyl)cyclobutyl]-5-methylpyrazole-3-carboxamide
CID 113344850
N-[1-(hydroxymethyl)cyclopentyl]-5-methyl-2-pentan-3-ylpyrazole-3-carboxamide
CID 110008789
N-[(1-hydroxycyclohexyl)methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 66126067
N-[(1-aminocyclohexyl)methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 119404493
2-[1-[(4-bromo-1-methylpyrazole-3-carbonyl)amino]cyclohexyl]acetic acid
CID 138005704
2-[1-[(4-methylbenzoyl)amino]cyclohexyl]acetic acid
CID 64671347
1-[[(2,5-dimethylpyrazole-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449752
N-[[1-(aminomethyl)cyclohexyl]methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 103970196
2-[1-[(1-methylindazole-3-carbonyl)amino]cyclobutyl]acetic acid
CID 103117029
2-[1-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]cyclobutyl]acetic acid
CID 102810261

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,5-dimethylpyrazole-3-carbonyl)amino]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[(2,5-dimethylpyrazole-3-carbonyl)amino]cyclopentyl]acetic acid (CID 66127117) is 2-[1-[(2,5-dimethylpyrazole-3-carbonyl)amino]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[(2,5-dimethylpyrazole-3-carbonyl)amino]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[(2,5-dimethylpyrazole-3-carbonyl)amino]cyclopentyl]acetic acid is Cc1cc(C(=O)NC2(CC(=O)O)CCCC2)n(C)n1.
What is the InChIKey of 2-[1-[(2,5-dimethylpyrazole-3-carbonyl)amino]cyclopentyl]acetic acid?
The InChIKey is DEISWVXKVHOWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9-7-10(16(2)15-9)12(19)14-13(8-11(17)18)5-3-4-6-13/h7H,3-6,8H2,1-2H3,(H,14,19)(H,17,18).
What are the key properties of 2-[1-[(2,5-dimethylpyrazole-3-carbonyl)amino]cyclopentyl]acetic acid?
2-[1-[(2,5-dimethylpyrazole-3-carbonyl)amino]cyclopentyl]acetic acid has a molecular weight of 265.31 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,5-dimethylpyrazole-3-carbonyl)amino]cyclopentyl]acetic acid is sourced from PubChem (CID 66127117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).