1-(2-chloro-5-methylphenyl)-4-methylpyrazol-3-amine

C11H12ClN3 — CID 107627899

IUPAC1-(2-chloro-5-methylphenyl)-4-methylpyrazol-3-amine
SMILESCc1ccc(Cl)c(-n2cc(C)c(N)n2)c1
InChIInChI=1S/C11H12ClN3/c1-7-3-4-9(12)10(5-7)15-6-8(2)11(13)14-15/h3-6H,1-2H3,(H2,13,14)
InChIKeyQOWJFVWBBBOOLT-UHFFFAOYSA-N
MW221.69 g/mol
LogP2.72
Rot. Bonds1

About 1-(2-chloro-5-methylphenyl)-4-methylpyrazol-3-amine

1-(2-chloro-5-methylphenyl)-4-methylpyrazol-3-amine (PubChem CID 107627899) has the molecular formula C11H12ClN3 and a molecular weight of 221.69 g/mol. Its IUPAC name is 1-(2-chloro-5-methylphenyl)-4-methylpyrazol-3-amine.

Molecular Properties

Compound Name1-(2-chloro-5-methylphenyl)-4-methylpyrazol-3-amine
PubChem CID107627899
Molecular FormulaC11H12ClN3
Molecular Weight221.69 g/mol
Exact Mass221.07
IUPAC Name1-(2-chloro-5-methylphenyl)-4-methylpyrazol-3-amine
SMILESCc1ccc(Cl)c(-n2cc(C)c(N)n2)c1
InChIInChI=1S/C11H12ClN3/c1-7-3-4-9(12)10(5-7)15-6-8(2)11(13)14-15/h3-6H,1-2H3,(H2,13,14)
InChIKeyQOWJFVWBBBOOLT-UHFFFAOYSA-N
XLogP2.72
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluoro-5-methylphenyl)-4-methylpyrazol-3-amine
CID 102942463
1-(2-chloro-5-methylphenyl)-4-methylpyrazole-3-carboxylic acid
CID 107626269
1-(2-chloro-5-methylphenyl)triazol-4-amine
CID 107627716
1-(2-chloro-4-nitrophenyl)-4-methylpyrazol-3-amine
CID 102942629
1,2-dichloro-4-methylbenzene;zinc
CID 174694337
1-(2-bromophenyl)-4-methylpyrazol-3-amine
CID 62677549
1-(2-ethylphenyl)-4-methylpyrazol-3-amine
CID 102942323
4-methyl-1-phenylpyrazol-3-amine
CID 12847947
1-(2-chloro-5-methylphenyl)imidazol-2-amine
CID 107628162
1-(2-chloro-5-methylphenyl)-2,5-dimethylpyrrole
CID 107629535
4-methyl-1-(5-methyl-3-pyridinyl)pyrazol-3-amine
CID 115375127
4-(2-bromoethyl)-1-(2-chloro-5-methylphenyl)triazole
CID 107627384

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-methylphenyl)-4-methylpyrazol-3-amine?
The IUPAC name of 1-(2-chloro-5-methylphenyl)-4-methylpyrazol-3-amine (CID 107627899) is 1-(2-chloro-5-methylphenyl)-4-methylpyrazol-3-amine.
What is the SMILES notation for 1-(2-chloro-5-methylphenyl)-4-methylpyrazol-3-amine?
The canonical SMILES for 1-(2-chloro-5-methylphenyl)-4-methylpyrazol-3-amine is Cc1ccc(Cl)c(-n2cc(C)c(N)n2)c1.
What is the InChIKey of 1-(2-chloro-5-methylphenyl)-4-methylpyrazol-3-amine?
The InChIKey is QOWJFVWBBBOOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3/c1-7-3-4-9(12)10(5-7)15-6-8(2)11(13)14-15/h3-6H,1-2H3,(H2,13,14).
What are the key properties of 1-(2-chloro-5-methylphenyl)-4-methylpyrazol-3-amine?
1-(2-chloro-5-methylphenyl)-4-methylpyrazol-3-amine has a molecular weight of 221.69 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-methylphenyl)-4-methylpyrazol-3-amine is sourced from PubChem (CID 107627899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).