2-[(2,5-dimethylpyrazol-3-yl)methyl]cyclopentane-1-carboxylic acid

C12H18N2O2 — CID 81008084

IUPAC2-[(2,5-dimethylpyrazol-3-yl)methyl]cyclopentane-1-carboxylic acid
SMILESCc1cc(CC2CCCC2C(=O)O)n(C)n1
InChIInChI=1S/C12H18N2O2/c1-8-6-10(14(2)13-8)7-9-4-3-5-11(9)12(15)16/h6,9,11H,3-5,7H2,1-2H3,(H,15,16)
InChIKeyOPWAJILIOGTVKG-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.77
Rot. Bonds3

About 2-[(2,5-dimethylpyrazol-3-yl)methyl]cyclopentane-1-carboxylic acid

2-[(2,5-dimethylpyrazol-3-yl)methyl]cyclopentane-1-carboxylic acid (PubChem CID 81008084) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-[(2,5-dimethylpyrazol-3-yl)methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2,5-dimethylpyrazol-3-yl)methyl]cyclopentane-1-carboxylic acid
PubChem CID81008084
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-[(2,5-dimethylpyrazol-3-yl)methyl]cyclopentane-1-carboxylic acid
SMILESCc1cc(CC2CCCC2C(=O)O)n(C)n1
InChIInChI=1S/C12H18N2O2/c1-8-6-10(14(2)13-8)7-9-4-3-5-11(9)12(15)16/h6,9,11H,3-5,7H2,1-2H3,(H,15,16)
InChIKeyOPWAJILIOGTVKG-UHFFFAOYSA-N
XLogP1.77
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylpyrazol-3-yl)methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(2,5-dimethylpyrazol-3-yl)methyl]cyclopentane-1-carboxylic acid (CID 81008084) is 2-[(2,5-dimethylpyrazol-3-yl)methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(2,5-dimethylpyrazol-3-yl)methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(2,5-dimethylpyrazol-3-yl)methyl]cyclopentane-1-carboxylic acid is Cc1cc(CC2CCCC2C(=O)O)n(C)n1.
What is the InChIKey of 2-[(2,5-dimethylpyrazol-3-yl)methyl]cyclopentane-1-carboxylic acid?
The InChIKey is OPWAJILIOGTVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8-6-10(14(2)13-8)7-9-4-3-5-11(9)12(15)16/h6,9,11H,3-5,7H2,1-2H3,(H,15,16).
What are the key properties of 2-[(2,5-dimethylpyrazol-3-yl)methyl]cyclopentane-1-carboxylic acid?
2-[(2,5-dimethylpyrazol-3-yl)methyl]cyclopentane-1-carboxylic acid has a molecular weight of 222.29 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylpyrazol-3-yl)methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 81008084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).