N-methyl-1-(1H-pyrazol-4-yl)ethenamine

C6H9N3 — CID 134288911

IUPACN-methyl-1-(1H-pyrazol-4-yl)ethenamine
SMILESCNC(=C)C1=CNN=C1
InChIInChI=1S/C6H9N3/c1-5(7-2)6-3-8-9-4-6/h3-4,7H,1H2,2H3,(H,8,9)
InChIKeyGAESTSWUBPFQDU-UHFFFAOYSA-N
MW123.16 g/mol
LogP0.80
Rot. Bonds2

About N-methyl-1-(1H-pyrazol-4-yl)ethenamine

N-methyl-1-(1H-pyrazol-4-yl)ethenamine (PubChem CID 134288911) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is N-methyl-1-(1H-pyrazol-4-yl)ethenamine.

Molecular Properties

Compound NameN-methyl-1-(1H-pyrazol-4-yl)ethenamine
PubChem CID134288911
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC NameN-methyl-1-(1H-pyrazol-4-yl)ethenamine
SMILESCNC(=C)C1=CNN=C1
InChIInChI=1S/C6H9N3/c1-5(7-2)6-3-8-9-4-6/h3-4,7H,1H2,2H3,(H,8,9)
InChIKeyGAESTSWUBPFQDU-UHFFFAOYSA-N
XLogP0.80
TPSA40.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity111

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethenyl-1H-pyrazole
CID 22280261
methyl(1H-pyrazol-4-ylmethyl)amine dihydrochloride
CID 54593142
dimethyl[(1H-pyrazol-4-yl)methyl]amine dihydrochloride
CID 165943184
methyl((1H-pyrazol-4-yl)methyl)amine hydrochloride
CID 167716177
dimethyl[(1H-pyrazol-4-yl)methyl]amine
CID 22929641
N-methyl-1-(1H-pyrazol-4-yl)methanamine
CID 22929644
N-methyl-2-(1H-pyrazol-4-yl)ethanamine
CID 3159693
CID 57582055
CID 57582055
N-(1H-pyrazol-4-ylmethyl)propan-2-amine
CID 61000273
N-(1H-pyrazol-4-ylmethyl)ethanamine
CID 61000735
N-(1H-pyrazol-4-ylmethyl)propan-1-amine
CID 61000736
2-methyl-N-(1H-pyrazol-4-ylmethyl)propan-2-amine
CID 62403356

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1H-pyrazol-4-yl)ethenamine?
The IUPAC name of N-methyl-1-(1H-pyrazol-4-yl)ethenamine (CID 134288911) is N-methyl-1-(1H-pyrazol-4-yl)ethenamine.
What is the SMILES notation for N-methyl-1-(1H-pyrazol-4-yl)ethenamine?
The canonical SMILES for N-methyl-1-(1H-pyrazol-4-yl)ethenamine is CNC(=C)C1=CNN=C1.
What is the InChIKey of N-methyl-1-(1H-pyrazol-4-yl)ethenamine?
The InChIKey is GAESTSWUBPFQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3/c1-5(7-2)6-3-8-9-4-6/h3-4,7H,1H2,2H3,(H,8,9).
What are the key properties of N-methyl-1-(1H-pyrazol-4-yl)ethenamine?
N-methyl-1-(1H-pyrazol-4-yl)ethenamine has a molecular weight of 123.16 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1H-pyrazol-4-yl)ethenamine is sourced from PubChem (CID 134288911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).