1-[(4-methylphenyl)methyl]pyrazol-3-amine

C11H13N3 — CID 571039

IUPAC1-[(4-methylphenyl)methyl]pyrazol-3-amine
SMILESCc1ccc(Cn2ccc(N)n2)cc1
InChIInChI=1S/C11H13N3/c1-9-2-4-10(5-3-9)8-14-7-6-11(12)13-14/h2-7H,8H2,1H3,(H2,12,13)
InChIKeyBJZYOOWPWOYDPH-UHFFFAOYSA-N
MW187.25 g/mol
LogP1.82
Rot. Bonds2

About 1-[(4-methylphenyl)methyl]pyrazol-3-amine

1-[(4-methylphenyl)methyl]pyrazol-3-amine (PubChem CID 571039) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]pyrazol-3-amine
PubChem CID571039
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name1-[(4-methylphenyl)methyl]pyrazol-3-amine
SMILESCc1ccc(Cn2ccc(N)n2)cc1
InChIInChI=1S/C11H13N3/c1-9-2-4-10(5-3-9)8-14-7-6-11(12)13-14/h2-7H,8H2,1H3,(H2,12,13)
InChIKeyBJZYOOWPWOYDPH-UHFFFAOYSA-N
XLogP1.82
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]pyrazol-3-amine?
The IUPAC name of 1-[(4-methylphenyl)methyl]pyrazol-3-amine (CID 571039) is 1-[(4-methylphenyl)methyl]pyrazol-3-amine.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]pyrazol-3-amine?
The canonical SMILES for 1-[(4-methylphenyl)methyl]pyrazol-3-amine is Cc1ccc(Cn2ccc(N)n2)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]pyrazol-3-amine?
The InChIKey is BJZYOOWPWOYDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-9-2-4-10(5-3-9)8-14-7-6-11(12)13-14/h2-7H,8H2,1H3,(H2,12,13).
What are the key properties of 1-[(4-methylphenyl)methyl]pyrazol-3-amine?
1-[(4-methylphenyl)methyl]pyrazol-3-amine has a molecular weight of 187.25 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]pyrazol-3-amine is sourced from PubChem (CID 571039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).