1-(3-chlorophenyl)-5-methoxypyrazole-4-carboxylic acid

C11H9ClN2O3 — CID 115069036

IUPAC1-(3-chlorophenyl)-5-methoxypyrazole-4-carboxylic acid
SMILESCOc1c(C(=O)O)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C11H9ClN2O3/c1-17-10-9(11(15)16)6-13-14(10)8-4-2-3-7(12)5-8/h2-6H,1H3,(H,15,16)
InChIKeyVZMMRWCJSPSQEH-UHFFFAOYSA-N
MW252.66 g/mol
LogP2.23
Rot. Bonds3

About 1-(3-chlorophenyl)-5-methoxypyrazole-4-carboxylic acid

1-(3-chlorophenyl)-5-methoxypyrazole-4-carboxylic acid (PubChem CID 115069036) has the molecular formula C11H9ClN2O3 and a molecular weight of 252.66 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-5-methoxypyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-chlorophenyl)-5-methoxypyrazole-4-carboxylic acid
PubChem CID115069036
Molecular FormulaC11H9ClN2O3
Molecular Weight252.66 g/mol
Exact Mass252.03
IUPAC Name1-(3-chlorophenyl)-5-methoxypyrazole-4-carboxylic acid
SMILESCOc1c(C(=O)O)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C11H9ClN2O3/c1-17-10-9(11(15)16)6-13-14(10)8-4-2-3-7(12)5-8/h2-6H,1H3,(H,15,16)
InChIKeyVZMMRWCJSPSQEH-UHFFFAOYSA-N
XLogP2.23
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.66
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(3-chlorophenyl)-5-methoxypyrazol-4-yl]acetic acid
CID 115069043
1-(3-chlorophenyl)-5-methoxy-3-methylpyrazole-4-carboxylic acid
CID 117123962
1-(3-chlorophenyl)-N-methoxy-5-propan-2-ylpyrazole-4-carboxamide
CID 30838865
5-bromo-1-(3-chlorophenyl)-4-methoxypyrazole
CID 117232915
5-(methoxymethyl)-1-(3-methylsulfanylphenyl)pyrazole-4-carboxylic acid
CID 82361584
5-(difluoromethyl)-1-(3-methoxyphenyl)pyrazole-4-carboxylic acid
CID 114797921
2-[[1-(3-chlorophenyl)-5-methylpyrazole-4-carbonyl]-methylamino]propanoic acid
CID 119209354
1-(3-chlorophenyl)-5-propan-2-yl-N'-(3,4,5-trimethoxybenzoyl)pyrazole-4-carbohydrazide
CID 43058699
1-[[1-(3-chlorophenyl)-5-methylpyrazole-4-carbonyl]amino]-3-methylurea
CID 86835858
2-[1-(3-fluorophenyl)-5-methoxypyrazol-4-yl]acetic acid
CID 115069042
methyl 2-[[1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]amino]acetate
CID 52570392
1-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]-2-ethylbutan-1-one
CID 134561020

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-5-methoxypyrazole-4-carboxylic acid?
The IUPAC name of 1-(3-chlorophenyl)-5-methoxypyrazole-4-carboxylic acid (CID 115069036) is 1-(3-chlorophenyl)-5-methoxypyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(3-chlorophenyl)-5-methoxypyrazole-4-carboxylic acid?
The canonical SMILES for 1-(3-chlorophenyl)-5-methoxypyrazole-4-carboxylic acid is COc1c(C(=O)O)cnn1-c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-5-methoxypyrazole-4-carboxylic acid?
The InChIKey is VZMMRWCJSPSQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O3/c1-17-10-9(11(15)16)6-13-14(10)8-4-2-3-7(12)5-8/h2-6H,1H3,(H,15,16).
What are the key properties of 1-(3-chlorophenyl)-5-methoxypyrazole-4-carboxylic acid?
1-(3-chlorophenyl)-5-methoxypyrazole-4-carboxylic acid has a molecular weight of 252.66 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-5-methoxypyrazole-4-carboxylic acid is sourced from PubChem (CID 115069036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).