5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-3-carboxylic acid

C14H14N2O3 — CID 82089498

IUPAC5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-3-carboxylic acid
SMILESCOc1ccc(-n2nc(C(=O)O)cc2C2CC2)cc1
InChIInChI=1S/C14H14N2O3/c1-19-11-6-4-10(5-7-11)16-13(9-2-3-9)8-12(15-16)14(17)18/h4-9H,2-3H2,1H3,(H,17,18)
InChIKeyCMDOUFTZMRGEKC-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.46
Rot. Bonds4

About 5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-3-carboxylic acid

5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-3-carboxylic acid (PubChem CID 82089498) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-3-carboxylic acid
PubChem CID82089498
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-3-carboxylic acid
SMILESCOc1ccc(-n2nc(C(=O)O)cc2C2CC2)cc1
InChIInChI=1S/C14H14N2O3/c1-19-11-6-4-10(5-7-11)16-13(9-2-3-9)8-12(15-16)14(17)18/h4-9H,2-3H2,1H3,(H,17,18)
InChIKeyCMDOUFTZMRGEKC-UHFFFAOYSA-N
XLogP2.46
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-3-carboxamide
CID 110372682
5-cyclopropyl-1-(4-methoxyphenyl)-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 110372681
N-butyl-5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-3-carboxamide
CID 110372680
N-(1,3-benzodioxol-5-ylmethyl)-5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-3-carboxamide
CID 110372699
5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-4-carboxylic acid
CID 63173747
N-cyclopentyl-5-cyclopropyl-1-(3-methoxyphenyl)pyrazole-3-carboxamide
CID 110372725
5-cyclopropyl-1-(2-ethoxyphenyl)pyrazole-3-carboxylic acid
CID 82361939
5-cyclopentyl-1-(3-fluorophenyl)pyrazole-3-carboxylic acid
CID 82093610
3-formyl-1-(4-methoxyphenyl)pyrazole-5-carboxylic acid
CID 18177264
(3-cyclopropyl-1-phenylpyrazol-5-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 9327914
1-[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]piperidine-3-carboxylic acid
CID 120512556
5-cyclopropyl-N-(5-methyl-1,2-oxazol-3-yl)-1-phenylpyrazole-3-carboxamide
CID 110372583

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-3-carboxylic acid?
The IUPAC name of 5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-3-carboxylic acid (CID 82089498) is 5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-3-carboxylic acid is COc1ccc(-n2nc(C(=O)O)cc2C2CC2)cc1.
What is the InChIKey of 5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-3-carboxylic acid?
The InChIKey is CMDOUFTZMRGEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-19-11-6-4-10(5-7-11)16-13(9-2-3-9)8-12(15-16)14(17)18/h4-9H,2-3H2,1H3,(H,17,18).
What are the key properties of 5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-3-carboxylic acid?
5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-3-carboxylic acid has a molecular weight of 258.28 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 82089498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).