1-[(1-cyclopentylpyrazol-3-yl)methyl]-3,5-dimethylpyrazole-4-carboxylic acid

C15H20N4O2 — CID 64785538

IUPAC1-[(1-cyclopentylpyrazol-3-yl)methyl]-3,5-dimethylpyrazole-4-carboxylic acid
SMILESCc1nn(Cc2ccn(C3CCCC3)n2)c(C)c1C(=O)O
InChIInChI=1S/C15H20N4O2/c1-10-14(15(20)21)11(2)19(16-10)9-12-7-8-18(17-12)13-5-3-4-6-13/h7-8,13H,3-6,9H2,1-2H3,(H,20,21)
InChIKeyFXHKBKBGPXPZII-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.56
Rot. Bonds4

About 1-[(1-cyclopentylpyrazol-3-yl)methyl]-3,5-dimethylpyrazole-4-carboxylic acid

1-[(1-cyclopentylpyrazol-3-yl)methyl]-3,5-dimethylpyrazole-4-carboxylic acid (PubChem CID 64785538) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-[(1-cyclopentylpyrazol-3-yl)methyl]-3,5-dimethylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[(1-cyclopentylpyrazol-3-yl)methyl]-3,5-dimethylpyrazole-4-carboxylic acid
PubChem CID64785538
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name1-[(1-cyclopentylpyrazol-3-yl)methyl]-3,5-dimethylpyrazole-4-carboxylic acid
SMILESCc1nn(Cc2ccn(C3CCCC3)n2)c(C)c1C(=O)O
InChIInChI=1S/C15H20N4O2/c1-10-14(15(20)21)11(2)19(16-10)9-12-7-8-18(17-12)13-5-3-4-6-13/h7-8,13H,3-6,9H2,1-2H3,(H,20,21)
InChIKeyFXHKBKBGPXPZII-UHFFFAOYSA-N
XLogP2.56
TPSA72.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazole-4-carboxylic acid
CID 64771130
1-[(1-cyclopentylpyrazol-3-yl)methyl]-5-ethyltriazole-4-carboxylic acid
CID 64778276
3-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylimidazole-4-carboxylic acid
CID 65173009
2-[4-[(1-cyclopentylpyrazol-3-yl)methyl]piperazin-1-yl]acetic acid
CID 64785188
5-(aminomethyl)-1-[(1-cyclopentylpyrazol-3-yl)methyl]triazole-4-carboxylic acid
CID 103121957
1-[(1-cyclohexylpyrazol-3-yl)methyl]-3,5-dimethylpyrazole
CID 64779569
2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidin-2-yl]acetic acid
CID 64783454
1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 64784230
1-benzyl-3,5-dimethylpyrazole-4-carboxylic acid
CID 2826762
2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]azetidin-3-yl]acetic acid
CID 64784425
ethyl 1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-2-carboxylate
CID 64778071
1-cyclopentyl-3-[(2,3,4-trimethylpyrrol-1-yl)methyl]pyrazole
CID 64776963

Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopentylpyrazol-3-yl)methyl]-3,5-dimethylpyrazole-4-carboxylic acid?
The IUPAC name of 1-[(1-cyclopentylpyrazol-3-yl)methyl]-3,5-dimethylpyrazole-4-carboxylic acid (CID 64785538) is 1-[(1-cyclopentylpyrazol-3-yl)methyl]-3,5-dimethylpyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[(1-cyclopentylpyrazol-3-yl)methyl]-3,5-dimethylpyrazole-4-carboxylic acid?
The canonical SMILES for 1-[(1-cyclopentylpyrazol-3-yl)methyl]-3,5-dimethylpyrazole-4-carboxylic acid is Cc1nn(Cc2ccn(C3CCCC3)n2)c(C)c1C(=O)O.
What is the InChIKey of 1-[(1-cyclopentylpyrazol-3-yl)methyl]-3,5-dimethylpyrazole-4-carboxylic acid?
The InChIKey is FXHKBKBGPXPZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-10-14(15(20)21)11(2)19(16-10)9-12-7-8-18(17-12)13-5-3-4-6-13/h7-8,13H,3-6,9H2,1-2H3,(H,20,21).
What are the key properties of 1-[(1-cyclopentylpyrazol-3-yl)methyl]-3,5-dimethylpyrazole-4-carboxylic acid?
1-[(1-cyclopentylpyrazol-3-yl)methyl]-3,5-dimethylpyrazole-4-carboxylic acid has a molecular weight of 288.35 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclopentylpyrazol-3-yl)methyl]-3,5-dimethylpyrazole-4-carboxylic acid is sourced from PubChem (CID 64785538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).