3-tert-butyl-1-methyl-4-pyridin-3-ylpyrazol-5-amine

C13H18N4 — CID 58958602

IUPAC3-tert-butyl-1-methyl-4-pyridin-3-ylpyrazol-5-amine
SMILESCn1nc(C(C)(C)C)c(-c2cccnc2)c1N
InChIInChI=1S/C13H18N4/c1-13(2,3)11-10(12(14)17(4)16-11)9-6-5-7-15-8-9/h5-8H,14H2,1-4H3
InChIKeyHVDLTIZWSLAKHF-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.36
Rot. Bonds1

About 3-tert-butyl-1-methyl-4-pyridin-3-ylpyrazol-5-amine

3-tert-butyl-1-methyl-4-pyridin-3-ylpyrazol-5-amine (PubChem CID 58958602) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-tert-butyl-1-methyl-4-pyridin-3-ylpyrazol-5-amine.

Molecular Properties

Compound Name3-tert-butyl-1-methyl-4-pyridin-3-ylpyrazol-5-amine
PubChem CID58958602
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name3-tert-butyl-1-methyl-4-pyridin-3-ylpyrazol-5-amine
SMILESCn1nc(C(C)(C)C)c(-c2cccnc2)c1N
InChIInChI=1S/C13H18N4/c1-13(2,3)11-10(12(14)17(4)16-11)9-6-5-7-15-8-9/h5-8H,14H2,1-4H3
InChIKeyHVDLTIZWSLAKHF-UHFFFAOYSA-N
XLogP2.36
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-tert-butyl-1-methyl-4-pyridin-3-ylpyrazol-5-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 3-tert-butyl-1-methyl-4-pyridin-3-ylpyrazol-5-amine?
The IUPAC name of 3-tert-butyl-1-methyl-4-pyridin-3-ylpyrazol-5-amine (CID 58958602) is 3-tert-butyl-1-methyl-4-pyridin-3-ylpyrazol-5-amine.
What is the SMILES notation for 3-tert-butyl-1-methyl-4-pyridin-3-ylpyrazol-5-amine?
The canonical SMILES for 3-tert-butyl-1-methyl-4-pyridin-3-ylpyrazol-5-amine is Cn1nc(C(C)(C)C)c(-c2cccnc2)c1N.
What is the InChIKey of 3-tert-butyl-1-methyl-4-pyridin-3-ylpyrazol-5-amine?
The InChIKey is HVDLTIZWSLAKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-13(2,3)11-10(12(14)17(4)16-11)9-6-5-7-15-8-9/h5-8H,14H2,1-4H3.
What are the key properties of 3-tert-butyl-1-methyl-4-pyridin-3-ylpyrazol-5-amine?
3-tert-butyl-1-methyl-4-pyridin-3-ylpyrazol-5-amine has a molecular weight of 230.31 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-methyl-4-pyridin-3-ylpyrazol-5-amine is sourced from PubChem (CID 58958602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).