2-(3-chlorophenyl)-5-methylpyrazole-3-carboxylic acid

C11H9ClN2O2 — CID 75355715

IUPAC2-(3-chlorophenyl)-5-methylpyrazole-3-carboxylic acid
SMILESCc1cc(C(=O)O)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C11H9ClN2O2/c1-7-5-10(11(15)16)14(13-7)9-4-2-3-8(12)6-9/h2-6H,1H3,(H,15,16)
InChIKeyMVKFGYKGLXZAIV-UHFFFAOYSA-N
MW236.66 g/mol
LogP2.53
Rot. Bonds2

About 2-(3-chlorophenyl)-5-methylpyrazole-3-carboxylic acid

2-(3-chlorophenyl)-5-methylpyrazole-3-carboxylic acid (PubChem CID 75355715) has the molecular formula C11H9ClN2O2 and a molecular weight of 236.66 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5-methylpyrazole-3-carboxylic acid
PubChem CID75355715
Molecular FormulaC11H9ClN2O2
Molecular Weight236.66 g/mol
Exact Mass236.04
IUPAC Name2-(3-chlorophenyl)-5-methylpyrazole-3-carboxylic acid
SMILESCc1cc(C(=O)O)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C11H9ClN2O2/c1-7-5-10(11(15)16)14(13-7)9-4-2-3-8(12)6-9/h2-6H,1H3,(H,15,16)
InChIKeyMVKFGYKGLXZAIV-UHFFFAOYSA-N
XLogP2.53
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid
CID 10846907
1-(3-chlorophenyl)-3-[4-(2-methylpropyl)phenyl]pyrazole-5-carboxylic acid
CID 91871393
2-(4-bromophenyl)-5-methylpyrazole-3-carboxylic acid
CID 2769597
2-[(3-chlorophenyl)methyl]-5-methylpyrazole-3-carboxylic acid
CID 82297625
2-(3-chlorophenyl)-5-methylpyrazole-3-carbonitrile
CID 71241581
4-bromo-1-(3-chlorophenyl)-5-methylpyrazole-3-carboxylic acid
CID 55037987
5-methyl-2-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazole-3-carboxylic acid
CID 11360434
4-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]benzamide
CID 2352147
2-amino-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]acetamide
CID 110459429
1-(3-chlorophenyl)-5-methoxy-3-methylpyrazole-4-carboxylic acid
CID 117123962
[4-(4-chlorophenyl)piperazin-1-yl]-[2-(3-fluorophenyl)-5-methylpyrazol-3-yl]methanone
CID 90972119
5-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-fluorobenzamide
CID 55481154

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-5-methylpyrazole-3-carboxylic acid?
The IUPAC name of 2-(3-chlorophenyl)-5-methylpyrazole-3-carboxylic acid (CID 75355715) is 2-(3-chlorophenyl)-5-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 2-(3-chlorophenyl)-5-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 2-(3-chlorophenyl)-5-methylpyrazole-3-carboxylic acid is Cc1cc(C(=O)O)n(-c2cccc(Cl)c2)n1.
What is the InChIKey of 2-(3-chlorophenyl)-5-methylpyrazole-3-carboxylic acid?
The InChIKey is MVKFGYKGLXZAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2/c1-7-5-10(11(15)16)14(13-7)9-4-2-3-8(12)6-9/h2-6H,1H3,(H,15,16).
What are the key properties of 2-(3-chlorophenyl)-5-methylpyrazole-3-carboxylic acid?
2-(3-chlorophenyl)-5-methylpyrazole-3-carboxylic acid has a molecular weight of 236.66 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-5-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 75355715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).