1-pentan-3-yl-3-pyridin-3-ylpyrazol-4-amine

C13H18N4 — CID 83218420

IUPAC1-pentan-3-yl-3-pyridin-3-ylpyrazol-4-amine
SMILESCCC(CC)n1cc(N)c(-c2cccnc2)n1
InChIInChI=1S/C13H18N4/c1-3-11(4-2)17-9-12(14)13(16-17)10-6-5-7-15-8-10/h5-9,11H,3-4,14H2,1-2H3
InChIKeyQISGGZWFNWWPOB-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.89
Rot. Bonds4

About 1-pentan-3-yl-3-pyridin-3-ylpyrazol-4-amine

1-pentan-3-yl-3-pyridin-3-ylpyrazol-4-amine (PubChem CID 83218420) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-pentan-3-yl-3-pyridin-3-ylpyrazol-4-amine.

Molecular Properties

Compound Name1-pentan-3-yl-3-pyridin-3-ylpyrazol-4-amine
PubChem CID83218420
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name1-pentan-3-yl-3-pyridin-3-ylpyrazol-4-amine
SMILESCCC(CC)n1cc(N)c(-c2cccnc2)n1
InChIInChI=1S/C13H18N4/c1-3-11(4-2)17-9-12(14)13(16-17)10-6-5-7-15-8-10/h5-9,11H,3-4,14H2,1-2H3
InChIKeyQISGGZWFNWWPOB-UHFFFAOYSA-N
XLogP2.89
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-pentan-3-yl-3-pyridin-3-ylpyrazol-4-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 1-pentan-3-yl-3-pyridin-3-ylpyrazol-4-amine?
The IUPAC name of 1-pentan-3-yl-3-pyridin-3-ylpyrazol-4-amine (CID 83218420) is 1-pentan-3-yl-3-pyridin-3-ylpyrazol-4-amine.
What is the SMILES notation for 1-pentan-3-yl-3-pyridin-3-ylpyrazol-4-amine?
The canonical SMILES for 1-pentan-3-yl-3-pyridin-3-ylpyrazol-4-amine is CCC(CC)n1cc(N)c(-c2cccnc2)n1.
What is the InChIKey of 1-pentan-3-yl-3-pyridin-3-ylpyrazol-4-amine?
The InChIKey is QISGGZWFNWWPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-3-11(4-2)17-9-12(14)13(16-17)10-6-5-7-15-8-10/h5-9,11H,3-4,14H2,1-2H3.
What are the key properties of 1-pentan-3-yl-3-pyridin-3-ylpyrazol-4-amine?
1-pentan-3-yl-3-pyridin-3-ylpyrazol-4-amine has a molecular weight of 230.31 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentan-3-yl-3-pyridin-3-ylpyrazol-4-amine is sourced from PubChem (CID 83218420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).