4-[(2E,4Z)-hexa-2,4-dien-3-yl]-1-methylpyrazole

C10H14N2 — CID 118951928

IUPAC4-[(2E,4Z)-hexa-2,4-dien-3-yl]-1-methylpyrazole
SMILESC/C=C\C(=C/C)c1cnn(C)c1
InChIInChI=1S/C10H14N2/c1-4-6-9(5-2)10-7-11-12(3)8-10/h4-8H,1-3H3/b6-4-,9-5+
InChIKeyRKEXZTSGKHCDTC-QUNSIMLLSA-N
MW162.24 g/mol
LogP2.40
Rot. Bonds2

About 4-[(2E,4Z)-hexa-2,4-dien-3-yl]-1-methylpyrazole

4-[(2E,4Z)-hexa-2,4-dien-3-yl]-1-methylpyrazole (PubChem CID 118951928) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 4-[(2E,4Z)-hexa-2,4-dien-3-yl]-1-methylpyrazole.

Molecular Properties

Compound Name4-[(2E,4Z)-hexa-2,4-dien-3-yl]-1-methylpyrazole
PubChem CID118951928
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name4-[(2E,4Z)-hexa-2,4-dien-3-yl]-1-methylpyrazole
SMILESC/C=C\C(=C/C)c1cnn(C)c1
InChIInChI=1S/C10H14N2/c1-4-6-9(5-2)10-7-11-12(3)8-10/h4-8H,1-3H3/b6-4-,9-5+
InChIKeyRKEXZTSGKHCDTC-QUNSIMLLSA-N
XLogP2.40
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[(2E,4Z)-hexa-2,4-dien-3-yl]-1-methylpyrazole 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

4-ethenyl-1-methyl-1H-pyrazole
CID 21825964
4-((1E)-3-chloroprop-1-en-1-yl)-1-methyl-1H-pyrazole
CID 121514065
2-[[1-(2-Cyanoethyl)-3-methylpyrazol-4-yl]methylidene]propanedinitrile
CID 2309217
4-Ethyl-1-methylpyrazole
CID 22948535
4-Ethenyl-1-ethyl-3-(trifluoromethyl)pyrazole
CID 118357782
(1E,3E)-4-fluoro-2-(1-methylpyrazol-4-yl)penta-1,3-dien-1-amine
CID 118951926
4-[(2E,4E)-5-fluorohexa-2,4-dien-3-yl]-1-methylpyrazole
CID 118951977
4-(3-Fluorobuta-1,3-dien-2-yl)-1-methylpyrazole
CID 123160841
4-(1-Fluorobut-2-en-2-yl)-1-methylpyrazole
CID 123461946
4-[5-(Difluoromethoxy)hexa-2,4-dien-3-yl]-1-methylpyrazole
CID 123878340
4-(4-Fluorobuta-1,3-dien-2-yl)-1-methylpyrazole
CID 123913279
7-Ethenyl-3-fluoro-5-(1-methylpyrazol-4-yl)cyclohepta-1,2,4,6-tetraen-1-amine
CID 126763540

Frequently Asked Questions

What is the IUPAC name of 4-[(2E,4Z)-hexa-2,4-dien-3-yl]-1-methylpyrazole?
The IUPAC name of 4-[(2E,4Z)-hexa-2,4-dien-3-yl]-1-methylpyrazole (CID 118951928) is 4-[(2E,4Z)-hexa-2,4-dien-3-yl]-1-methylpyrazole.
What is the SMILES notation for 4-[(2E,4Z)-hexa-2,4-dien-3-yl]-1-methylpyrazole?
The canonical SMILES for 4-[(2E,4Z)-hexa-2,4-dien-3-yl]-1-methylpyrazole is C/C=C\C(=C/C)c1cnn(C)c1.
What is the InChIKey of 4-[(2E,4Z)-hexa-2,4-dien-3-yl]-1-methylpyrazole?
The InChIKey is RKEXZTSGKHCDTC-QUNSIMLLSA-N. The full InChI is InChI=1S/C10H14N2/c1-4-6-9(5-2)10-7-11-12(3)8-10/h4-8H,1-3H3/b6-4-,9-5+.
What are the key properties of 4-[(2E,4Z)-hexa-2,4-dien-3-yl]-1-methylpyrazole?
4-[(2E,4Z)-hexa-2,4-dien-3-yl]-1-methylpyrazole has a molecular weight of 162.24 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E,4Z)-hexa-2,4-dien-3-yl]-1-methylpyrazole is sourced from PubChem (CID 118951928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).