N-[4-ethenyl-1-[(Z)-prop-1-enyl]pyrazol-5-yl]methanimine

C9H11N3 — CID 142406766

IUPACN-[4-ethenyl-1-[(Z)-prop-1-enyl]pyrazol-5-yl]methanimine
SMILESC=Cc1cnn(/C=C\C)c1N=C
InChIInChI=1S/C9H11N3/c1-4-6-12-9(10-3)8(5-2)7-11-12/h4-7H,2-3H2,1H3/b6-4-
InChIKeyLXVBDGSGHZADDB-XQRVVYSFSA-N
MW161.21 g/mol
LogP2.35
Rot. Bonds3

About N-[4-ethenyl-1-[(Z)-prop-1-enyl]pyrazol-5-yl]methanimine

N-[4-ethenyl-1-[(Z)-prop-1-enyl]pyrazol-5-yl]methanimine (PubChem CID 142406766) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is N-[4-ethenyl-1-[(Z)-prop-1-enyl]pyrazol-5-yl]methanimine.

Molecular Properties

Compound NameN-[4-ethenyl-1-[(Z)-prop-1-enyl]pyrazol-5-yl]methanimine
PubChem CID142406766
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC NameN-[4-ethenyl-1-[(Z)-prop-1-enyl]pyrazol-5-yl]methanimine
SMILESC=Cc1cnn(/C=C\C)c1N=C
InChIInChI=1S/C9H11N3/c1-4-6-12-9(10-3)8(5-2)7-11-12/h4-7H,2-3H2,1H3/b6-4-
InChIKeyLXVBDGSGHZADDB-XQRVVYSFSA-N
XLogP2.35
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[4-ethenyl-1-[(Z)-prop-1-enyl]pyrazol-5-yl]methanimine 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

(Z)-N-(4-ethenyl-1-methylpyrazol-5-yl)ethanimine
CID 143895936
(Z)-N-methyl-6-[4-methyl-5-(methylideneamino)pyrazol-1-yl]hex-5-en-1-amine
CID 134386288
N-[1-[[1-[3-[dimethyl(oxo)-λ6-sulfanylidene]propyl]piperidin-3-yl]methyl]-4-ethenylpyrazol-5-yl]methanimine
CID 123461242
N-(4-prop-1-enyl-1H-pyrazol-5-yl)methanimine
CID 123664666
N-(5-ethenyl-3-propan-2-ylimidazol-4-yl)methanimine
CID 142363960
5-[[but-3-en-2-yl(prop-1-enyl)amino]methyl]-1-prop-1-enylpyrazole-4-carboxamide
CID 123461812
ethane;2-ethenyl-3-[(Z)-prop-1-enyl]imidazol-4-amine
CID 144934481
N-(3-ethenyl-1,4-dimethylpyrrol-2-yl)methanimine
CID 143838717
5-ethenyl-1-methylpyrazole-4-carbaldehyde
CID 121457966
N-(4-ethenyl-6-ethyl-3-pyridinyl)methanimine
CID 145293598
4-[2-[4-ethenyl-5-[(Z)-prop-1-enyl]pyrazol-1-yl]ethyl]phenol
CID 162357905
5-ethenyl-4-(methylideneamino)-3-propan-2-yloxypyridin-2-amine
CID 142879348

Frequently Asked Questions

What is the IUPAC name of N-[4-ethenyl-1-[(Z)-prop-1-enyl]pyrazol-5-yl]methanimine?
The IUPAC name of N-[4-ethenyl-1-[(Z)-prop-1-enyl]pyrazol-5-yl]methanimine (CID 142406766) is N-[4-ethenyl-1-[(Z)-prop-1-enyl]pyrazol-5-yl]methanimine.
What is the SMILES notation for N-[4-ethenyl-1-[(Z)-prop-1-enyl]pyrazol-5-yl]methanimine?
The canonical SMILES for N-[4-ethenyl-1-[(Z)-prop-1-enyl]pyrazol-5-yl]methanimine is C=Cc1cnn(/C=C\C)c1N=C.
What is the InChIKey of N-[4-ethenyl-1-[(Z)-prop-1-enyl]pyrazol-5-yl]methanimine?
The InChIKey is LXVBDGSGHZADDB-XQRVVYSFSA-N. The full InChI is InChI=1S/C9H11N3/c1-4-6-12-9(10-3)8(5-2)7-11-12/h4-7H,2-3H2,1H3/b6-4-.
What are the key properties of N-[4-ethenyl-1-[(Z)-prop-1-enyl]pyrazol-5-yl]methanimine?
N-[4-ethenyl-1-[(Z)-prop-1-enyl]pyrazol-5-yl]methanimine has a molecular weight of 161.21 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-ethenyl-1-[(Z)-prop-1-enyl]pyrazol-5-yl]methanimine is sourced from PubChem (CID 142406766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).