3-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylimidazole-4-carboxylic acid

C14H18N4O2 — CID 65173009

IUPAC3-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylimidazole-4-carboxylic acid
SMILESCc1ncc(C(=O)O)n1Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C14H18N4O2/c1-10-15-8-13(14(19)20)17(10)9-11-6-7-18(16-11)12-4-2-3-5-12/h6-8,12H,2-5,9H2,1H3,(H,19,20)
InChIKeyXRRMWVACTXSUMI-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.25
Rot. Bonds4

About 3-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylimidazole-4-carboxylic acid

3-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylimidazole-4-carboxylic acid (PubChem CID 65173009) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylimidazole-4-carboxylic acid.

Molecular Properties

Compound Name3-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylimidazole-4-carboxylic acid
PubChem CID65173009
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name3-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylimidazole-4-carboxylic acid
SMILESCc1ncc(C(=O)O)n1Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C14H18N4O2/c1-10-15-8-13(14(19)20)17(10)9-11-6-7-18(16-11)12-4-2-3-5-12/h6-8,12H,2-5,9H2,1H3,(H,19,20)
InChIKeyXRRMWVACTXSUMI-UHFFFAOYSA-N
XLogP2.25
TPSA72.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazole-4-carboxylic acid
CID 65173008
1-[(1-cyclopentylpyrazol-3-yl)methyl]-3,5-dimethylpyrazole-4-carboxylic acid
CID 64785538
2-[4-[(1-cyclopentylpyrazol-3-yl)methyl]piperazin-1-yl]acetic acid
CID 64785188
2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidin-2-yl]acetic acid
CID 64783454
1-cyclohexyl-3-ethylpyrazole
CID 66014335
1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 64784230
2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]azetidin-3-yl]acetic acid
CID 64784425
1-[(1-cyclopentylpyrazol-3-yl)methyl]-5-ethyltriazole-4-carboxylic acid
CID 64778276
ethyl 1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-2-carboxylate
CID 64778071
1-[(1-cyclopentylpyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 83191883
2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]piperidin-3-yl]acetic acid
CID 64785777
(3S,4R)-1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 79410698

Frequently Asked Questions

What is the IUPAC name of 3-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylimidazole-4-carboxylic acid?
The IUPAC name of 3-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylimidazole-4-carboxylic acid (CID 65173009) is 3-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylimidazole-4-carboxylic acid.
What is the SMILES notation for 3-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylimidazole-4-carboxylic acid?
The canonical SMILES for 3-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylimidazole-4-carboxylic acid is Cc1ncc(C(=O)O)n1Cc1ccn(C2CCCC2)n1.
What is the InChIKey of 3-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylimidazole-4-carboxylic acid?
The InChIKey is XRRMWVACTXSUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-10-15-8-13(14(19)20)17(10)9-11-6-7-18(16-11)12-4-2-3-5-12/h6-8,12H,2-5,9H2,1H3,(H,19,20).
What are the key properties of 3-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylimidazole-4-carboxylic acid?
3-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylimidazole-4-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylimidazole-4-carboxylic acid is sourced from PubChem (CID 65173009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).