5-chloro-1-(2-methoxyphenyl)-3-propan-2-ylpyrazole-4-carboxylic acid

C14H15ClN2O3 — CID 63033151

IUPAC5-chloro-1-(2-methoxyphenyl)-3-propan-2-ylpyrazole-4-carboxylic acid
SMILESCOc1ccccc1-n1nc(C(C)C)c(C(=O)O)c1Cl
InChIInChI=1S/C14H15ClN2O3/c1-8(2)12-11(14(18)19)13(15)17(16-12)9-6-4-5-7-10(9)20-3/h4-8H,1-3H3,(H,18,19)
InChIKeyZAABXKPCISETBU-UHFFFAOYSA-N
MW294.74 g/mol
LogP3.36
Rot. Bonds4

About 5-chloro-1-(2-methoxyphenyl)-3-propan-2-ylpyrazole-4-carboxylic acid

5-chloro-1-(2-methoxyphenyl)-3-propan-2-ylpyrazole-4-carboxylic acid (PubChem CID 63033151) has the molecular formula C14H15ClN2O3 and a molecular weight of 294.74 g/mol. Its IUPAC name is 5-chloro-1-(2-methoxyphenyl)-3-propan-2-ylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-1-(2-methoxyphenyl)-3-propan-2-ylpyrazole-4-carboxylic acid
PubChem CID63033151
Molecular FormulaC14H15ClN2O3
Molecular Weight294.74 g/mol
Exact Mass294.08
IUPAC Name5-chloro-1-(2-methoxyphenyl)-3-propan-2-ylpyrazole-4-carboxylic acid
SMILESCOc1ccccc1-n1nc(C(C)C)c(C(=O)O)c1Cl
InChIInChI=1S/C14H15ClN2O3/c1-8(2)12-11(14(18)19)13(15)17(16-12)9-6-4-5-7-10(9)20-3/h4-8H,1-3H3,(H,18,19)
InChIKeyZAABXKPCISETBU-UHFFFAOYSA-N
XLogP3.36
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-1-(2-chlorophenyl)-3-propan-2-ylpyrazole-4-carboxylic acid
CID 43381542
[5-methoxy-1-(2-methoxyphenyl)-3-propan-2-ylpyrazol-4-yl]methanol
CID 117123466
1-(2-methoxyphenyl)-3-methyl-5-(4-methylphenyl)pyrazole-4-carboxylic acid
CID 82072143
1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxylic acid
CID 46708109
1-(2-methoxyphenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid
CID 71563706
5-tert-butyl-4-chloro-1-(2-methoxyphenyl)pyrazole-3-carboxylic acid
CID 63033848
5-chloro-4-(chloromethyl)-1-(2-methoxyphenyl)-3-methylpyrazole
CID 63033333
1-(4-hydroxyphenyl)-5-methoxy-3-propan-2-ylpyrazole-4-carboxylic acid
CID 117124282
5-chloro-N-[(2S)-1-imidazol-1-yl-3-phenylpropan-2-yl]-1-(2-methoxyphenyl)-3-methylpyrazole-4-carboxamide
CID 141390922
1-(2-methoxyphenyl)-5-pentan-3-ylpyrazole-3-carboxylic acid
CID 82361926
methyl 2-[1-(2-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]propanoate
CID 63035241
5-chloro-3-(methoxymethyl)-1-(2-methylphenyl)pyrazole-4-carboxylic acid
CID 62319735

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(2-methoxyphenyl)-3-propan-2-ylpyrazole-4-carboxylic acid?
The IUPAC name of 5-chloro-1-(2-methoxyphenyl)-3-propan-2-ylpyrazole-4-carboxylic acid (CID 63033151) is 5-chloro-1-(2-methoxyphenyl)-3-propan-2-ylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-chloro-1-(2-methoxyphenyl)-3-propan-2-ylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-chloro-1-(2-methoxyphenyl)-3-propan-2-ylpyrazole-4-carboxylic acid is COc1ccccc1-n1nc(C(C)C)c(C(=O)O)c1Cl.
What is the InChIKey of 5-chloro-1-(2-methoxyphenyl)-3-propan-2-ylpyrazole-4-carboxylic acid?
The InChIKey is ZAABXKPCISETBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3/c1-8(2)12-11(14(18)19)13(15)17(16-12)9-6-4-5-7-10(9)20-3/h4-8H,1-3H3,(H,18,19).
What are the key properties of 5-chloro-1-(2-methoxyphenyl)-3-propan-2-ylpyrazole-4-carboxylic acid?
5-chloro-1-(2-methoxyphenyl)-3-propan-2-ylpyrazole-4-carboxylic acid has a molecular weight of 294.74 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(2-methoxyphenyl)-3-propan-2-ylpyrazole-4-carboxylic acid is sourced from PubChem (CID 63033151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).