3-(1,3-dimethylpyrazol-4-yl)-N-methylprop-2-yn-1-amine

C9H13N3 — CID 114498094

IUPAC3-(1,3-dimethylpyrazol-4-yl)-N-methylprop-2-yn-1-amine
SMILESCNCC#Cc1cn(C)nc1C
InChIInChI=1S/C9H13N3/c1-8-9(5-4-6-10-2)7-12(3)11-8/h7,10H,6H2,1-3H3
InChIKeyLJMFRBPSXVEUKJ-UHFFFAOYSA-N
MW163.22 g/mol
LogP0.30
Rot. Bonds1

About 3-(1,3-dimethylpyrazol-4-yl)-N-methylprop-2-yn-1-amine

3-(1,3-dimethylpyrazol-4-yl)-N-methylprop-2-yn-1-amine (PubChem CID 114498094) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 3-(1,3-dimethylpyrazol-4-yl)-N-methylprop-2-yn-1-amine.

Molecular Properties

Compound Name3-(1,3-dimethylpyrazol-4-yl)-N-methylprop-2-yn-1-amine
PubChem CID114498094
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name3-(1,3-dimethylpyrazol-4-yl)-N-methylprop-2-yn-1-amine
SMILESCNCC#Cc1cn(C)nc1C
InChIInChI=1S/C9H13N3/c1-8-9(5-4-6-10-2)7-12(3)11-8/h7,10H,6H2,1-3H3
InChIKeyLJMFRBPSXVEUKJ-UHFFFAOYSA-N
XLogP0.30
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 3-(1,3-dimethylpyrazol-4-yl)-N-methylprop-2-yn-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

3-(1-ethyl-3-methylpyrazol-4-yl)-N-methylprop-2-yn-1-amine
CID 114498104
3-(1,3-dimethylpyrazol-4-yl)-N,2-dimethylprop-2-en-1-amine
CID 83094821
bicyclo[3.1.0]hexa-1(6),2,4-triene;4-ethynyl-1,3-dimethylpyrazole
CID 22271746
1-(1,3-dimethylpyrazol-4-yl)-N,2-dimethylbutan-1-amine
CID 102804208
(1,3-dimethylpyrazol-4-yl)methylcyanamide
CID 112669054
4-(3-tert-butyl-1-methylpyrazol-4-yl)but-3-yn-1-ol
CID 66020806
1,3-dimethyl-4-propa-1,2-dienylpyrazole
CID 142348541
4-bromo-1,3-dimethylpyrazole
CID 12615416
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(3-hydroxyprop-1-ynyl)benzamide
CID 115991498
2-[(1,3-dimethylpyrazol-4-yl)methylamino]acetonitrile
CID 112669035
N-(2-amino-2-oxoethoxy)-1,3-dimethylpyrazole-4-carboxamide
CID 103901265
N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-1,3-dimethylpyrazole-4-carboxamide
CID 102802094

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dimethylpyrazol-4-yl)-N-methylprop-2-yn-1-amine?
The IUPAC name of 3-(1,3-dimethylpyrazol-4-yl)-N-methylprop-2-yn-1-amine (CID 114498094) is 3-(1,3-dimethylpyrazol-4-yl)-N-methylprop-2-yn-1-amine.
What is the SMILES notation for 3-(1,3-dimethylpyrazol-4-yl)-N-methylprop-2-yn-1-amine?
The canonical SMILES for 3-(1,3-dimethylpyrazol-4-yl)-N-methylprop-2-yn-1-amine is CNCC#Cc1cn(C)nc1C.
What is the InChIKey of 3-(1,3-dimethylpyrazol-4-yl)-N-methylprop-2-yn-1-amine?
The InChIKey is LJMFRBPSXVEUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-8-9(5-4-6-10-2)7-12(3)11-8/h7,10H,6H2,1-3H3.
What are the key properties of 3-(1,3-dimethylpyrazol-4-yl)-N-methylprop-2-yn-1-amine?
3-(1,3-dimethylpyrazol-4-yl)-N-methylprop-2-yn-1-amine has a molecular weight of 163.22 g/mol, XLogP of 0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dimethylpyrazol-4-yl)-N-methylprop-2-yn-1-amine is sourced from PubChem (CID 114498094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).