N-methyl-1-(1-methylpyrazol-4-yl)ethanamine

C7H13N3 — CID 23005793

IUPACN-methyl-1-(1-methylpyrazol-4-yl)ethanamine
SMILESCNC(C)c1cnn(C)c1
InChIInChI=1S/C7H13N3/c1-6(8-2)7-4-9-10(3)5-7/h4-6,8H,1-3H3
InChIKeyKFDNTYSILYMRBA-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.70
Rot. Bonds2

About N-methyl-1-(1-methylpyrazol-4-yl)ethanamine

N-methyl-1-(1-methylpyrazol-4-yl)ethanamine (PubChem CID 23005793) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is N-methyl-1-(1-methylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(1-methylpyrazol-4-yl)ethanamine
PubChem CID23005793
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC NameN-methyl-1-(1-methylpyrazol-4-yl)ethanamine
SMILESCNC(C)c1cnn(C)c1
InChIInChI=1S/C7H13N3/c1-6(8-2)7-4-9-10(3)5-7/h4-6,8H,1-3H3
InChIKeyKFDNTYSILYMRBA-UHFFFAOYSA-N
XLogP0.70
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-1-(1-methylpyrazol-4-yl)ethanamine 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 N-methyl-1-(1-methylpyrazol-4-yl)ethanamine?
The IUPAC name of N-methyl-1-(1-methylpyrazol-4-yl)ethanamine (CID 23005793) is N-methyl-1-(1-methylpyrazol-4-yl)ethanamine.
What is the SMILES notation for N-methyl-1-(1-methylpyrazol-4-yl)ethanamine?
The canonical SMILES for N-methyl-1-(1-methylpyrazol-4-yl)ethanamine is CNC(C)c1cnn(C)c1.
What is the InChIKey of N-methyl-1-(1-methylpyrazol-4-yl)ethanamine?
The InChIKey is KFDNTYSILYMRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-6(8-2)7-4-9-10(3)5-7/h4-6,8H,1-3H3.
What are the key properties of N-methyl-1-(1-methylpyrazol-4-yl)ethanamine?
N-methyl-1-(1-methylpyrazol-4-yl)ethanamine has a molecular weight of 139.20 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-methylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 23005793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).