3-methyl-5-[(1Z,3Z)-penta-1,3-dienyl]-3H-pyrazole

C9H12N2 — CID 130268133

IUPAC3-methyl-5-[(1Z,3Z)-penta-1,3-dienyl]-3H-pyrazole
SMILESC/C=C\C=C/C1=CC(C)N=N1
InChIInChI=1S/C9H12N2/c1-3-4-5-6-9-7-8(2)10-11-9/h3-8H,1-2H3/b4-3-,6-5-
InChIKeyVLHHRIHGSLAVHL-OUPQRBNQSA-N
MW148.21 g/mol
LogP2.86
Rot. Bonds2

About 3-methyl-5-[(1Z,3Z)-penta-1,3-dienyl]-3H-pyrazole

3-methyl-5-[(1Z,3Z)-penta-1,3-dienyl]-3H-pyrazole (PubChem CID 130268133) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 3-methyl-5-[(1Z,3Z)-penta-1,3-dienyl]-3H-pyrazole.

Molecular Properties

Compound Name3-methyl-5-[(1Z,3Z)-penta-1,3-dienyl]-3H-pyrazole
PubChem CID130268133
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name3-methyl-5-[(1Z,3Z)-penta-1,3-dienyl]-3H-pyrazole
SMILESC/C=C\C=C/C1=CC(C)N=N1
InChIInChI=1S/C9H12N2/c1-3-4-5-6-9-7-8(2)10-11-9/h3-8H,1-2H3/b4-3-,6-5-
InChIKeyVLHHRIHGSLAVHL-OUPQRBNQSA-N
XLogP2.86
TPSA24.72 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 ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(1Z,3Z)-penta-1,3-dienyl]-3H-pyrazole?
The IUPAC name of 3-methyl-5-[(1Z,3Z)-penta-1,3-dienyl]-3H-pyrazole (CID 130268133) is 3-methyl-5-[(1Z,3Z)-penta-1,3-dienyl]-3H-pyrazole.
What is the SMILES notation for 3-methyl-5-[(1Z,3Z)-penta-1,3-dienyl]-3H-pyrazole?
The canonical SMILES for 3-methyl-5-[(1Z,3Z)-penta-1,3-dienyl]-3H-pyrazole is C/C=C\C=C/C1=CC(C)N=N1.
What is the InChIKey of 3-methyl-5-[(1Z,3Z)-penta-1,3-dienyl]-3H-pyrazole?
The InChIKey is VLHHRIHGSLAVHL-OUPQRBNQSA-N. The full InChI is InChI=1S/C9H12N2/c1-3-4-5-6-9-7-8(2)10-11-9/h3-8H,1-2H3/b4-3-,6-5-.
What are the key properties of 3-methyl-5-[(1Z,3Z)-penta-1,3-dienyl]-3H-pyrazole?
3-methyl-5-[(1Z,3Z)-penta-1,3-dienyl]-3H-pyrazole has a molecular weight of 148.21 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(1Z,3Z)-penta-1,3-dienyl]-3H-pyrazole is sourced from PubChem (CID 130268133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).