1-(2-propoxyphenyl)pyrazole-4-carboxylic acid

C13H14N2O3 — CID 82365555

IUPAC1-(2-propoxyphenyl)pyrazole-4-carboxylic acid
SMILESCCCOc1ccccc1-n1cc(C(=O)O)cn1
InChIInChI=1S/C13H14N2O3/c1-2-7-18-12-6-4-3-5-11(12)15-9-10(8-14-15)13(16)17/h3-6,8-9H,2,7H2,1H3,(H,16,17)
InChIKeyMZQKXBIYCBTCGS-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.36
Rot. Bonds5

About 1-(2-propoxyphenyl)pyrazole-4-carboxylic acid

1-(2-propoxyphenyl)pyrazole-4-carboxylic acid (PubChem CID 82365555) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 1-(2-propoxyphenyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-propoxyphenyl)pyrazole-4-carboxylic acid
PubChem CID82365555
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name1-(2-propoxyphenyl)pyrazole-4-carboxylic acid
SMILESCCCOc1ccccc1-n1cc(C(=O)O)cn1
InChIInChI=1S/C13H14N2O3/c1-2-7-18-12-6-4-3-5-11(12)15-9-10(8-14-15)13(16)17/h3-6,8-9H,2,7H2,1H3,(H,16,17)
InChIKeyMZQKXBIYCBTCGS-UHFFFAOYSA-N
XLogP2.36
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxycarbonylphenyl)pyrazole-4-carboxylic acid
CID 82365533
1-(2-propoxyphenyl)pyrazole
CID 91373275
3-[1-(2-propoxyphenyl)triazol-4-yl]propanoic acid
CID 82369460
1-(2-cyanophenyl)pyrazole-4-carboxylic acid
CID 53415450
[4-(2-ethoxyphenyl)piperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone
CID 9069026
1-(4-bromophenyl)-N-(2-propoxyphenyl)pyrazole-4-carboxamide
CID 55771196
5-ethyl-1-(2-propoxyphenyl)triazole-4-carboxylic acid
CID 82200987
5-(2-propoxyphenyl)pyridine-2-carboxylic acid
CID 104660736
1-[1-(2-fluorophenyl)pyrazol-4-yl]propan-1-one
CID 134608302
[1-(2-methoxyphenyl)pyrazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 131948490
1-(1-phenylpyrazol-4-yl)butan-1-one
CID 43161927
1-(4-ethylphenyl)pyrazole-4-carboxylic acid
CID 82365536

Frequently Asked Questions

What is the IUPAC name of 1-(2-propoxyphenyl)pyrazole-4-carboxylic acid?
The IUPAC name of 1-(2-propoxyphenyl)pyrazole-4-carboxylic acid (CID 82365555) is 1-(2-propoxyphenyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(2-propoxyphenyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 1-(2-propoxyphenyl)pyrazole-4-carboxylic acid is CCCOc1ccccc1-n1cc(C(=O)O)cn1.
What is the InChIKey of 1-(2-propoxyphenyl)pyrazole-4-carboxylic acid?
The InChIKey is MZQKXBIYCBTCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-2-7-18-12-6-4-3-5-11(12)15-9-10(8-14-15)13(16)17/h3-6,8-9H,2,7H2,1H3,(H,16,17).
What are the key properties of 1-(2-propoxyphenyl)pyrazole-4-carboxylic acid?
1-(2-propoxyphenyl)pyrazole-4-carboxylic acid has a molecular weight of 246.27 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propoxyphenyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 82365555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).