2-[(4-tert-butylphenyl)methyl]pyrazol-3-amine

C14H19N3 — CID 4962849

IUPAC2-[(4-tert-butylphenyl)methyl]pyrazol-3-amine
SMILESCC(C)(C)c1ccc(Cn2nccc2N)cc1
InChIInChI=1S/C14H19N3/c1-14(2,3)12-6-4-11(5-7-12)10-17-13(15)8-9-16-17/h4-9H,10,15H2,1-3H3
InChIKeyAVDQVRFFOMTZJH-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.81
Rot. Bonds2

About 2-[(4-tert-butylphenyl)methyl]pyrazol-3-amine

2-[(4-tert-butylphenyl)methyl]pyrazol-3-amine (PubChem CID 4962849) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 2-[(4-tert-butylphenyl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name2-[(4-tert-butylphenyl)methyl]pyrazol-3-amine
PubChem CID4962849
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name2-[(4-tert-butylphenyl)methyl]pyrazol-3-amine
SMILESCC(C)(C)c1ccc(Cn2nccc2N)cc1
InChIInChI=1S/C14H19N3/c1-14(2,3)12-6-4-11(5-7-12)10-17-13(15)8-9-16-17/h4-9H,10,15H2,1-3H3
InChIKeyAVDQVRFFOMTZJH-UHFFFAOYSA-N
XLogP2.81
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(4-tert-butylphenyl)methyl]pyrazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylphenyl)methyl]pyrazol-3-amine?
The IUPAC name of 2-[(4-tert-butylphenyl)methyl]pyrazol-3-amine (CID 4962849) is 2-[(4-tert-butylphenyl)methyl]pyrazol-3-amine.
What is the SMILES notation for 2-[(4-tert-butylphenyl)methyl]pyrazol-3-amine?
The canonical SMILES for 2-[(4-tert-butylphenyl)methyl]pyrazol-3-amine is CC(C)(C)c1ccc(Cn2nccc2N)cc1.
What is the InChIKey of 2-[(4-tert-butylphenyl)methyl]pyrazol-3-amine?
The InChIKey is AVDQVRFFOMTZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-14(2,3)12-6-4-11(5-7-12)10-17-13(15)8-9-16-17/h4-9H,10,15H2,1-3H3.
What are the key properties of 2-[(4-tert-butylphenyl)methyl]pyrazol-3-amine?
2-[(4-tert-butylphenyl)methyl]pyrazol-3-amine has a molecular weight of 229.33 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylphenyl)methyl]pyrazol-3-amine is sourced from PubChem (CID 4962849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).