1-[3-(dimethylamino)propyl]-N-methylpyrazol-4-amine

C9H18N4 — CID 138564440

IUPAC1-[3-(dimethylamino)propyl]-N-methylpyrazol-4-amine
SMILESCNc1cnn(CCCN(C)C)c1
InChIInChI=1S/C9H18N4/c1-10-9-7-11-13(8-9)6-4-5-12(2)3/h7-8,10H,4-6H2,1-3H3
InChIKeyZSACGHUJCRBWDR-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.88
Rot. Bonds5

About 1-[3-(dimethylamino)propyl]-N-methylpyrazol-4-amine

1-[3-(dimethylamino)propyl]-N-methylpyrazol-4-amine (PubChem CID 138564440) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-N-methylpyrazol-4-amine.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-N-methylpyrazol-4-amine
PubChem CID138564440
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC Name1-[3-(dimethylamino)propyl]-N-methylpyrazol-4-amine
SMILESCNc1cnn(CCCN(C)C)c1
InChIInChI=1S/C9H18N4/c1-10-9-7-11-13(8-9)6-4-5-12(2)3/h7-8,10H,4-6H2,1-3H3
InChIKeyZSACGHUJCRBWDR-UHFFFAOYSA-N
XLogP0.88
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-(dimethylamino)propyl]-N-methylpyrazol-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-[3-(dimethylamino)propyl]-N-methylpyrazol-4-amine?
The IUPAC name of 1-[3-(dimethylamino)propyl]-N-methylpyrazol-4-amine (CID 138564440) is 1-[3-(dimethylamino)propyl]-N-methylpyrazol-4-amine.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-N-methylpyrazol-4-amine?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-N-methylpyrazol-4-amine is CNc1cnn(CCCN(C)C)c1.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-N-methylpyrazol-4-amine?
The InChIKey is ZSACGHUJCRBWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-10-9-7-11-13(8-9)6-4-5-12(2)3/h7-8,10H,4-6H2,1-3H3.
What are the key properties of 1-[3-(dimethylamino)propyl]-N-methylpyrazol-4-amine?
1-[3-(dimethylamino)propyl]-N-methylpyrazol-4-amine has a molecular weight of 182.27 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-N-methylpyrazol-4-amine is sourced from PubChem (CID 138564440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).