1-(2,5-dimethylphenyl)pyrazol-3-amine

C11H13N3 — CID 62677926

IUPAC1-(2,5-dimethylphenyl)pyrazol-3-amine
SMILESCc1ccc(C)c(-n2ccc(N)n2)c1
InChIInChI=1S/C11H13N3/c1-8-3-4-9(2)10(7-8)14-6-5-11(12)13-14/h3-7H,1-2H3,(H2,12,13)
InChIKeyLMBLOMVRWYKJPR-UHFFFAOYSA-N
MW187.25 g/mol
LogP2.07
Rot. Bonds1

About 1-(2,5-dimethylphenyl)pyrazol-3-amine

1-(2,5-dimethylphenyl)pyrazol-3-amine (PubChem CID 62677926) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)pyrazol-3-amine
PubChem CID62677926
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name1-(2,5-dimethylphenyl)pyrazol-3-amine
SMILESCc1ccc(C)c(-n2ccc(N)n2)c1
InChIInChI=1S/C11H13N3/c1-8-3-4-9(2)10(7-8)14-6-5-11(12)13-14/h3-7H,1-2H3,(H2,12,13)
InChIKeyLMBLOMVRWYKJPR-UHFFFAOYSA-N
XLogP2.07
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)pyrazol-3-amine?
The IUPAC name of 1-(2,5-dimethylphenyl)pyrazol-3-amine (CID 62677926) is 1-(2,5-dimethylphenyl)pyrazol-3-amine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)pyrazol-3-amine?
The canonical SMILES for 1-(2,5-dimethylphenyl)pyrazol-3-amine is Cc1ccc(C)c(-n2ccc(N)n2)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)pyrazol-3-amine?
The InChIKey is LMBLOMVRWYKJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-8-3-4-9(2)10(7-8)14-6-5-11(12)13-14/h3-7H,1-2H3,(H2,12,13).
What are the key properties of 1-(2,5-dimethylphenyl)pyrazol-3-amine?
1-(2,5-dimethylphenyl)pyrazol-3-amine has a molecular weight of 187.25 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)pyrazol-3-amine is sourced from PubChem (CID 62677926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).