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

C11H12ClN3 — CID 60866837

IUPAC1-(3-chloro-4-methylphenyl)-5-methylpyrazol-4-amine
SMILESCc1ccc(-n2ncc(N)c2C)cc1Cl
InChIInChI=1S/C11H12ClN3/c1-7-3-4-9(5-10(7)12)15-8(2)11(13)6-14-15/h3-6H,13H2,1-2H3
InChIKeyYYIGVUDRIOWPKH-UHFFFAOYSA-N
MW221.69 g/mol
LogP2.72
Rot. Bonds1

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

1-(3-chloro-4-methylphenyl)-5-methylpyrazol-4-amine (PubChem CID 60866837) has the molecular formula C11H12ClN3 and a molecular weight of 221.69 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-5-methylpyrazol-4-amine.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-5-methylpyrazol-4-amine
PubChem CID60866837
Molecular FormulaC11H12ClN3
Molecular Weight221.69 g/mol
Exact Mass221.07
IUPAC Name1-(3-chloro-4-methylphenyl)-5-methylpyrazol-4-amine
SMILESCc1ccc(-n2ncc(N)c2C)cc1Cl
InChIInChI=1S/C11H12ClN3/c1-7-3-4-9(5-10(7)12)15-8(2)11(13)6-14-15/h3-6H,13H2,1-2H3
InChIKeyYYIGVUDRIOWPKH-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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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-5-methylpyrazol-4-amine?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-5-methylpyrazol-4-amine (CID 60866837) is 1-(3-chloro-4-methylphenyl)-5-methylpyrazol-4-amine.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-5-methylpyrazol-4-amine?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-5-methylpyrazol-4-amine is Cc1ccc(-n2ncc(N)c2C)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-5-methylpyrazol-4-amine?
The InChIKey is YYIGVUDRIOWPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3/c1-7-3-4-9(5-10(7)12)15-8(2)11(13)6-14-15/h3-6H,13H2,1-2H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)-5-methylpyrazol-4-amine?
1-(3-chloro-4-methylphenyl)-5-methylpyrazol-4-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-(3-chloro-4-methylphenyl)-5-methylpyrazol-4-amine is sourced from PubChem (CID 60866837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).