1-[2-(2-methylpyrazol-3-yl)ethyl]cyclopentane-1-carboxylic acid

C12H18N2O2 — CID 103005051

IUPAC1-[2-(2-methylpyrazol-3-yl)ethyl]cyclopentane-1-carboxylic acid
SMILESCn1nccc1CCC1(C(=O)O)CCCC1
InChIInChI=1S/C12H18N2O2/c1-14-10(5-9-13-14)4-8-12(11(15)16)6-2-3-7-12/h5,9H,2-4,6-8H2,1H3,(H,15,16)
InChIKeyLMGFCJHMCJEMDJ-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.00
Rot. Bonds4

About 1-[2-(2-methylpyrazol-3-yl)ethyl]cyclopentane-1-carboxylic acid

1-[2-(2-methylpyrazol-3-yl)ethyl]cyclopentane-1-carboxylic acid (PubChem CID 103005051) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-[2-(2-methylpyrazol-3-yl)ethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-methylpyrazol-3-yl)ethyl]cyclopentane-1-carboxylic acid
PubChem CID103005051
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-[2-(2-methylpyrazol-3-yl)ethyl]cyclopentane-1-carboxylic acid
SMILESCn1nccc1CCC1(C(=O)O)CCCC1
InChIInChI=1S/C12H18N2O2/c1-14-10(5-9-13-14)4-8-12(11(15)16)6-2-3-7-12/h5,9H,2-4,6-8H2,1H3,(H,15,16)
InChIKeyLMGFCJHMCJEMDJ-UHFFFAOYSA-N
XLogP2.00
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(2-methylpyrazol-3-yl)ethyl]bicyclo[3.1.0]hexane-3-carboxylic acid
CID 103005116
2,2-dimethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-ol
CID 103006430
3-hydroxy-3-[2-(2-methylpyrazol-3-yl)ethyl]cyclobutane-1-carboxylic acid
CID 103006588
1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexane-1-carboxylic acid
CID 114528834
1-[2-(1-methylpyrazol-4-yl)ethyl]cyclooctane-1-carboxylic acid
CID 103017652
2-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-ol
CID 103005724
1-[(2-methylpyrazol-3-yl)methyl]-3-propylpyrrolidine-3-carboxylic acid
CID 65068464
1-amino-N-[(2-methylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide
CID 63302989
2-methyl-4-(2-methylpyrazol-3-yl)butanoic acid
CID 103005024
5-[2-[1-(bromomethyl)cyclopropyl]ethyl]-1-methylpyrazole
CID 103018381
1-[2-(5-methylthiophen-2-yl)ethyl]cyclopentane-1-carboxylic acid
CID 10944490
1-(2-pyridin-2-ylethyl)cyclopentane-1-carboxylic acid
CID 79424921

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylpyrazol-3-yl)ethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-(2-methylpyrazol-3-yl)ethyl]cyclopentane-1-carboxylic acid (CID 103005051) is 1-[2-(2-methylpyrazol-3-yl)ethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(2-methylpyrazol-3-yl)ethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-(2-methylpyrazol-3-yl)ethyl]cyclopentane-1-carboxylic acid is Cn1nccc1CCC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[2-(2-methylpyrazol-3-yl)ethyl]cyclopentane-1-carboxylic acid?
The InChIKey is LMGFCJHMCJEMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-14-10(5-9-13-14)4-8-12(11(15)16)6-2-3-7-12/h5,9H,2-4,6-8H2,1H3,(H,15,16).
What are the key properties of 1-[2-(2-methylpyrazol-3-yl)ethyl]cyclopentane-1-carboxylic acid?
1-[2-(2-methylpyrazol-3-yl)ethyl]cyclopentane-1-carboxylic acid has a molecular weight of 222.29 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylpyrazol-3-yl)ethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103005051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).