5-amino-1-(4-chloro-2-methylphenyl)pyrazole-3-carboxylic acid

C11H10ClN3O2 — CID 82119560

IUPAC5-amino-1-(4-chloro-2-methylphenyl)pyrazole-3-carboxylic acid
SMILESCc1cc(Cl)ccc1-n1nc(C(=O)O)cc1N
InChIInChI=1S/C11H10ClN3O2/c1-6-4-7(12)2-3-9(6)15-10(13)5-8(14-15)11(16)17/h2-5H,13H2,1H3,(H,16,17)
InChIKeyIREXGWIXEOMDCI-UHFFFAOYSA-N
MW251.67 g/mol
LogP2.11
Rot. Bonds2

About 5-amino-1-(4-chloro-2-methylphenyl)pyrazole-3-carboxylic acid

5-amino-1-(4-chloro-2-methylphenyl)pyrazole-3-carboxylic acid (PubChem CID 82119560) has the molecular formula C11H10ClN3O2 and a molecular weight of 251.67 g/mol. Its IUPAC name is 5-amino-1-(4-chloro-2-methylphenyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-1-(4-chloro-2-methylphenyl)pyrazole-3-carboxylic acid
PubChem CID82119560
Molecular FormulaC11H10ClN3O2
Molecular Weight251.67 g/mol
Exact Mass251.05
IUPAC Name5-amino-1-(4-chloro-2-methylphenyl)pyrazole-3-carboxylic acid
SMILESCc1cc(Cl)ccc1-n1nc(C(=O)O)cc1N
InChIInChI=1S/C11H10ClN3O2/c1-6-4-7(12)2-3-9(6)15-10(13)5-8(14-15)11(16)17/h2-5H,13H2,1H3,(H,16,17)
InChIKeyIREXGWIXEOMDCI-UHFFFAOYSA-N
XLogP2.11
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-1-(4-chloro-2-methylphenyl)-1,2,4-triazole-3-carboxylic acid
CID 116817607
5-amino-1-(3-chlorophenyl)pyrazole-3-carboxylic acid
CID 82116964
1-(4-chloro-2-methylphenyl)-3-ethylpyrazol-5-amine
CID 82083527
1-(4-chloro-2-methylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
CID 43363545
3-(4-chloro-2-methylphenyl)-5-methylimidazole-4-carboxylic acid
CID 82480999
1-[4-chloro-2-(trifluoromethyl)phenyl]-5-methylpyrazole-3-carboxylic acid
CID 105421473
5-amino-1-(4-bromo-3-methylphenyl)pyrazole-3-carboxylic acid
CID 82124593
5-tert-butyl-1-(4-chloro-2-methylphenyl)-1,2,4-triazole-3-carboxylic acid
CID 43652305
1-(4-chloro-2-methylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxylic acid
CID 61288079
1-(4-chloro-2-methylphenyl)-5-phenyltriazole-4-carboxylic acid
CID 94940403
1-(4-chloro-2-methylphenyl)-5-propyl-1,2,4-triazole-3-carboxylic acid
CID 43652302
5-amino-1-(4-carboxyphenyl)pyrazole-3-carboxylic acid
CID 82589309

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(4-chloro-2-methylphenyl)pyrazole-3-carboxylic acid?
The IUPAC name of 5-amino-1-(4-chloro-2-methylphenyl)pyrazole-3-carboxylic acid (CID 82119560) is 5-amino-1-(4-chloro-2-methylphenyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-amino-1-(4-chloro-2-methylphenyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 5-amino-1-(4-chloro-2-methylphenyl)pyrazole-3-carboxylic acid is Cc1cc(Cl)ccc1-n1nc(C(=O)O)cc1N.
What is the InChIKey of 5-amino-1-(4-chloro-2-methylphenyl)pyrazole-3-carboxylic acid?
The InChIKey is IREXGWIXEOMDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O2/c1-6-4-7(12)2-3-9(6)15-10(13)5-8(14-15)11(16)17/h2-5H,13H2,1H3,(H,16,17).
What are the key properties of 5-amino-1-(4-chloro-2-methylphenyl)pyrazole-3-carboxylic acid?
5-amino-1-(4-chloro-2-methylphenyl)pyrazole-3-carboxylic acid has a molecular weight of 251.67 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(4-chloro-2-methylphenyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 82119560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).