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

C14H14N2O3 — CID 63173747

IUPAC5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-4-carboxylic acid
SMILESCOc1ccc(-n2ncc(C(=O)O)c2C2CC2)cc1
InChIInChI=1S/C14H14N2O3/c1-19-11-6-4-10(5-7-11)16-13(9-2-3-9)12(8-15-16)14(17)18/h4-9H,2-3H2,1H3,(H,17,18)
InChIKeyHKESAZMZCAIAPB-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.46
Rot. Bonds4

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

5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-4-carboxylic acid (PubChem CID 63173747) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-4-carboxylic acid
PubChem CID63173747
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-4-carboxylic acid
SMILESCOc1ccc(-n2ncc(C(=O)O)c2C2CC2)cc1
InChIInChI=1S/C14H14N2O3/c1-19-11-6-4-10(5-7-11)16-13(9-2-3-9)12(8-15-16)14(17)18/h4-9H,2-3H2,1H3,(H,17,18)
InChIKeyHKESAZMZCAIAPB-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

ethyl 5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-4-carboxylate
CID 63235121
N,1-bis(4-methoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20953785
5-cyclopropyl-1-(3,4-dichlorophenyl)pyrazole-4-carboxylic acid
CID 28606372
5-cyclopropyl-N-ethyl-N-[(4-methoxyphenyl)methyl]-1-phenylpyrazole-4-carboxamide
CID 112817431
1-(4-methoxyphenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid
CID 82361607
N-(4-methoxyphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20953848
5-cyclopropyl-1-[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]pyrazole-4-carboxylic acid
CID 168966645
1-(4-fluorophenyl)-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazole-4-carboxylic acid
CID 67976230
1-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20924020
ethyl 5-cyclopropyl-1-(4-methylphenyl)pyrazole-4-carboxylate
CID 63235023
[4-(3-chlorophenyl)piperazin-1-yl]-[1-(4-methoxyphenyl)-5-piperidin-4-ylpyrazol-4-yl]methanone
CID 20924097
tert-butyl 4-[4-[(4-fluorophenyl)carbamoyl]-1-(4-methoxyphenyl)pyrazol-5-yl]piperidine-1-carboxylate
CID 46281184

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-4-carboxylic acid?
The IUPAC name of 5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-4-carboxylic acid (CID 63173747) is 5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-4-carboxylic acid is COc1ccc(-n2ncc(C(=O)O)c2C2CC2)cc1.
What is the InChIKey of 5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-4-carboxylic acid?
The InChIKey is HKESAZMZCAIAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-19-11-6-4-10(5-7-11)16-13(9-2-3-9)12(8-15-16)14(17)18/h4-9H,2-3H2,1H3,(H,17,18).
What are the key properties of 5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-4-carboxylic acid?
5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-4-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-4-carboxylic acid is sourced from PubChem (CID 63173747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).