1-(1-ethyl-3-methylpyrazol-4-yl)-N-methylethanamine

C9H17N3 — CID 23005800

IUPAC1-(1-ethyl-3-methylpyrazol-4-yl)-N-methylethanamine
SMILESCCn1cc(C(C)NC)c(C)n1
InChIInChI=1S/C9H17N3/c1-5-12-6-9(7(2)10-4)8(3)11-12/h6-7,10H,5H2,1-4H3
InChIKeyPFSHEQLWVHCJAU-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.49
Rot. Bonds3

About 1-(1-ethyl-3-methylpyrazol-4-yl)-N-methylethanamine

1-(1-ethyl-3-methylpyrazol-4-yl)-N-methylethanamine (PubChem CID 23005800) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 1-(1-ethyl-3-methylpyrazol-4-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(1-ethyl-3-methylpyrazol-4-yl)-N-methylethanamine
PubChem CID23005800
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name1-(1-ethyl-3-methylpyrazol-4-yl)-N-methylethanamine
SMILESCCn1cc(C(C)NC)c(C)n1
InChIInChI=1S/C9H17N3/c1-5-12-6-9(7(2)10-4)8(3)11-12/h6-7,10H,5H2,1-4H3
InChIKeyPFSHEQLWVHCJAU-UHFFFAOYSA-N
XLogP1.49
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1-ethyl-3-methylpyrazol-4-yl)-N-methylethanamine 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

1-(1-ethyl-3-methylpyrazol-4-yl)ethanamine;dihydrochloride
CID 90482954
N-[(1S)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-4-methylbenzenesulfonamide
CID 51391304
N-benzyl-1-(1-ethyl-3-methylpyrazol-4-yl)ethanamine
CID 19625231
1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 19625661
1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
CID 19626689
1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(1-ethylpyrazol-3-yl)methyl]ethanamine
CID 19625650
2-[[1-(1-ethyl-3-methylpyrazol-4-yl)ethylamino]methyl]phenol
CID 19627467
4-tert-butyl-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 22208960
1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2-fluorophenyl)methyl]ethanamine
CID 19625235
1-butyl-3-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]urea
CID 19414910
1-(1,3-dimethylpyrazol-4-yl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]ethanamine
CID 19625559
1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 19625239

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-3-methylpyrazol-4-yl)-N-methylethanamine?
The IUPAC name of 1-(1-ethyl-3-methylpyrazol-4-yl)-N-methylethanamine (CID 23005800) is 1-(1-ethyl-3-methylpyrazol-4-yl)-N-methylethanamine.
What is the SMILES notation for 1-(1-ethyl-3-methylpyrazol-4-yl)-N-methylethanamine?
The canonical SMILES for 1-(1-ethyl-3-methylpyrazol-4-yl)-N-methylethanamine is CCn1cc(C(C)NC)c(C)n1.
What is the InChIKey of 1-(1-ethyl-3-methylpyrazol-4-yl)-N-methylethanamine?
The InChIKey is PFSHEQLWVHCJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-5-12-6-9(7(2)10-4)8(3)11-12/h6-7,10H,5H2,1-4H3.
What are the key properties of 1-(1-ethyl-3-methylpyrazol-4-yl)-N-methylethanamine?
1-(1-ethyl-3-methylpyrazol-4-yl)-N-methylethanamine has a molecular weight of 167.26 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-3-methylpyrazol-4-yl)-N-methylethanamine is sourced from PubChem (CID 23005800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).