2-(5-ethyl-1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid

C9H12N2O2 — CID 174999849

IUPAC2-(5-ethyl-1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid
SMILESCCc1[nH]ncc1C1CC1C(=O)O
InChIInChI=1S/C9H12N2O2/c1-2-8-7(4-10-11-8)5-3-6(5)9(12)13/h4-6H,2-3H2,1H3,(H,10,11)(H,12,13)
InChIKeyRYBROGRAXYLDHD-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.16
Rot. Bonds3

About 2-(5-ethyl-1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid

2-(5-ethyl-1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid (PubChem CID 174999849) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-(5-ethyl-1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(5-ethyl-1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid
PubChem CID174999849
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2-(5-ethyl-1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid
SMILESCCc1[nH]ncc1C1CC1C(=O)O
InChIInChI=1S/C9H12N2O2/c1-2-8-7(4-10-11-8)5-3-6(5)9(12)13/h4-6H,2-3H2,1H3,(H,10,11)(H,12,13)
InChIKeyRYBROGRAXYLDHD-UHFFFAOYSA-N
XLogP1.16
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(5-ethyl-1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid (CID 174999849) is 2-(5-ethyl-1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(5-ethyl-1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(5-ethyl-1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid is CCc1[nH]ncc1C1CC1C(=O)O.
What is the InChIKey of 2-(5-ethyl-1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid?
The InChIKey is RYBROGRAXYLDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-2-8-7(4-10-11-8)5-3-6(5)9(12)13/h4-6H,2-3H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 2-(5-ethyl-1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid?
2-(5-ethyl-1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid has a molecular weight of 180.21 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 174999849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).