1-methyl-4-[(1Z,3Z)-penta-1,3-dienyl]pyrazole

C9H12N2 — CID 143224012

IUPAC1-methyl-4-[(1Z,3Z)-penta-1,3-dienyl]pyrazole
SMILESC/C=C\C=C/c1cnn(C)c1
InChIInChI=1S/C9H12N2/c1-3-4-5-6-9-7-10-11(2)8-9/h3-8H,1-2H3/b4-3-,6-5-
InChIKeyMKZSILOJYPJQOT-OUPQRBNQSA-N
MW148.21 g/mol
LogP2.01
Rot. Bonds2

About 1-methyl-4-[(1Z,3Z)-penta-1,3-dienyl]pyrazole

1-methyl-4-[(1Z,3Z)-penta-1,3-dienyl]pyrazole (PubChem CID 143224012) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 1-methyl-4-[(1Z,3Z)-penta-1,3-dienyl]pyrazole.

Molecular Properties

Compound Name1-methyl-4-[(1Z,3Z)-penta-1,3-dienyl]pyrazole
PubChem CID143224012
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name1-methyl-4-[(1Z,3Z)-penta-1,3-dienyl]pyrazole
SMILESC/C=C\C=C/c1cnn(C)c1
InChIInChI=1S/C9H12N2/c1-3-4-5-6-9-7-10-11(2)8-9/h3-8H,1-2H3/b4-3-,6-5-
InChIKeyMKZSILOJYPJQOT-OUPQRBNQSA-N
XLogP2.01
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-ethenyl-1-methyl-1H-pyrazole
CID 21825964
1-tert-butyl-4-ethenyl-1H-pyrazole
CID 14510323
4-((1E)-3-chloroprop-1-en-1-yl)-1-methyl-1H-pyrazole
CID 121514065
(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-(1-Fluorobut-2-en-2-yl)-1-methylpyrazole
CID 123461946
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
1-(2,2-difluoroethyl)-4-[(E)-prop-1-enyl]pyrazole
CID 132036005
4-[(3E)-3-fluoropenta-1,3-dien-2-yl]-1-propan-2-ylpyrazole
CID 135175779
4-[(2E,4Z,6E)-3-(difluoromethyl)octa-2,4,6-trien-4-yl]-1-methylpyrazole
CID 145090712
(2E,4E)-4,6-difluoro-5-(1-methylpyrazol-4-yl)hepta-2,4,6-trien-3-amine
CID 145105885

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(1Z,3Z)-penta-1,3-dienyl]pyrazole?
The IUPAC name of 1-methyl-4-[(1Z,3Z)-penta-1,3-dienyl]pyrazole (CID 143224012) is 1-methyl-4-[(1Z,3Z)-penta-1,3-dienyl]pyrazole.
What is the SMILES notation for 1-methyl-4-[(1Z,3Z)-penta-1,3-dienyl]pyrazole?
The canonical SMILES for 1-methyl-4-[(1Z,3Z)-penta-1,3-dienyl]pyrazole is C/C=C\C=C/c1cnn(C)c1.
What is the InChIKey of 1-methyl-4-[(1Z,3Z)-penta-1,3-dienyl]pyrazole?
The InChIKey is MKZSILOJYPJQOT-OUPQRBNQSA-N. The full InChI is InChI=1S/C9H12N2/c1-3-4-5-6-9-7-10-11(2)8-9/h3-8H,1-2H3/b4-3-,6-5-.
What are the key properties of 1-methyl-4-[(1Z,3Z)-penta-1,3-dienyl]pyrazole?
1-methyl-4-[(1Z,3Z)-penta-1,3-dienyl]pyrazole has a molecular weight of 148.21 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(1Z,3Z)-penta-1,3-dienyl]pyrazole is sourced from PubChem (CID 143224012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).