N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]ethanamine

C9H17N3 — CID 7018574

IUPACN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]ethanamine
SMILESCCNCc1cn(CC)nc1C
InChIInChI=1S/C9H17N3/c1-4-10-6-9-7-12(5-2)11-8(9)3/h7,10H,4-6H2,1-3H3
InChIKeySESCICPBCSPNEH-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.32
Rot. Bonds4

About N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]ethanamine

N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]ethanamine (PubChem CID 7018574) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]ethanamine
PubChem CID7018574
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]ethanamine
SMILESCCNCc1cn(CC)nc1C
InChIInChI=1S/C9H17N3/c1-4-10-6-9-7-12(5-2)11-8(9)3/h7,10H,4-6H2,1-3H3
InChIKeySESCICPBCSPNEH-UHFFFAOYSA-N
XLogP1.32
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]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-[(1-ethyl-3-methylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]ethanamine (CID 7018574) is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]ethanamine is CCNCc1cn(CC)nc1C.
What is the InChIKey of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is SESCICPBCSPNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-4-10-6-9-7-12(5-2)11-8(9)3/h7,10H,4-6H2,1-3H3.
What are the key properties of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]ethanamine?
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 167.26 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 7018574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).