2-ethyl-3-(5-methyl-1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid

C10H14N2O2 — CID 135349075

IUPAC2-ethyl-3-(5-methyl-1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid
SMILESCCC1C(C(=O)O)C1c1cn[nH]c1C
InChIInChI=1S/C10H14N2O2/c1-3-6-8(9(6)10(13)14)7-4-11-12-5(7)2/h4,6,8-9H,3H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyLRVVOCXZBVJDQK-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.54
Rot. Bonds3

About 2-ethyl-3-(5-methyl-1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid

2-ethyl-3-(5-methyl-1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid (PubChem CID 135349075) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-ethyl-3-(5-methyl-1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-3-(5-methyl-1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid
PubChem CID135349075
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-ethyl-3-(5-methyl-1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid
SMILESCCC1C(C(=O)O)C1c1cn[nH]c1C
InChIInChI=1S/C10H14N2O2/c1-3-6-8(9(6)10(13)14)7-4-11-12-5(7)2/h4,6,8-9H,3H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyLRVVOCXZBVJDQK-UHFFFAOYSA-N
XLogP1.54
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(5-methyl-1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-ethyl-3-(5-methyl-1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid (CID 135349075) is 2-ethyl-3-(5-methyl-1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-ethyl-3-(5-methyl-1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-ethyl-3-(5-methyl-1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid is CCC1C(C(=O)O)C1c1cn[nH]c1C.
What is the InChIKey of 2-ethyl-3-(5-methyl-1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid?
The InChIKey is LRVVOCXZBVJDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-3-6-8(9(6)10(13)14)7-4-11-12-5(7)2/h4,6,8-9H,3H2,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 2-ethyl-3-(5-methyl-1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid?
2-ethyl-3-(5-methyl-1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid has a molecular weight of 194.23 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(5-methyl-1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 135349075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).