(5-propan-2-yl-3-pyridin-2-yl-1H-pyrazol-4-yl)methanamine

C12H16N4 — CID 121212109

IUPAC(5-propan-2-yl-3-pyridin-2-yl-1H-pyrazol-4-yl)methanamine
SMILESCC(C)c1[nH]nc(-c2ccccn2)c1CN
InChIInChI=1S/C12H16N4/c1-8(2)11-9(7-13)12(16-15-11)10-5-3-4-6-14-10/h3-6,8H,7,13H2,1-2H3,(H,15,16)
InChIKeyWMMCXAZCOUJSQC-UHFFFAOYSA-N
MW216.29 g/mol
LogP2.05
Rot. Bonds3

About (5-propan-2-yl-3-pyridin-2-yl-1H-pyrazol-4-yl)methanamine

(5-propan-2-yl-3-pyridin-2-yl-1H-pyrazol-4-yl)methanamine (PubChem CID 121212109) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is (5-propan-2-yl-3-pyridin-2-yl-1H-pyrazol-4-yl)methanamine.

Molecular Properties

Compound Name(5-propan-2-yl-3-pyridin-2-yl-1H-pyrazol-4-yl)methanamine
PubChem CID121212109
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name(5-propan-2-yl-3-pyridin-2-yl-1H-pyrazol-4-yl)methanamine
SMILESCC(C)c1[nH]nc(-c2ccccn2)c1CN
InChIInChI=1S/C12H16N4/c1-8(2)11-9(7-13)12(16-15-11)10-5-3-4-6-14-10/h3-6,8H,7,13H2,1-2H3,(H,15,16)
InChIKeyWMMCXAZCOUJSQC-UHFFFAOYSA-N
XLogP2.05
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (5-propan-2-yl-3-pyridin-2-yl-1H-pyrazol-4-yl)methanamine 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 (5-propan-2-yl-3-pyridin-2-yl-1H-pyrazol-4-yl)methanamine?
The IUPAC name of (5-propan-2-yl-3-pyridin-2-yl-1H-pyrazol-4-yl)methanamine (CID 121212109) is (5-propan-2-yl-3-pyridin-2-yl-1H-pyrazol-4-yl)methanamine.
What is the SMILES notation for (5-propan-2-yl-3-pyridin-2-yl-1H-pyrazol-4-yl)methanamine?
The canonical SMILES for (5-propan-2-yl-3-pyridin-2-yl-1H-pyrazol-4-yl)methanamine is CC(C)c1[nH]nc(-c2ccccn2)c1CN.
What is the InChIKey of (5-propan-2-yl-3-pyridin-2-yl-1H-pyrazol-4-yl)methanamine?
The InChIKey is WMMCXAZCOUJSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-8(2)11-9(7-13)12(16-15-11)10-5-3-4-6-14-10/h3-6,8H,7,13H2,1-2H3,(H,15,16).
What are the key properties of (5-propan-2-yl-3-pyridin-2-yl-1H-pyrazol-4-yl)methanamine?
(5-propan-2-yl-3-pyridin-2-yl-1H-pyrazol-4-yl)methanamine has a molecular weight of 216.29 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-propan-2-yl-3-pyridin-2-yl-1H-pyrazol-4-yl)methanamine is sourced from PubChem (CID 121212109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).