4-methyl-1-[(3Z,5Z)-5-methyl-2-methylidenehepta-3,5-dienyl]pyrazole

C13H18N2 — CID 134550795

IUPAC4-methyl-1-[(3Z,5Z)-5-methyl-2-methylidenehepta-3,5-dienyl]pyrazole
SMILESC=C(/C=C\C(C)=C/C)Cn1cc(C)cn1
InChIInChI=1S/C13H18N2/c1-5-11(2)6-7-12(3)9-15-10-13(4)8-14-15/h5-8,10H,3,9H2,1-2,4H3/b7-6-,11-5-
InChIKeyAZPUVDCKUFQKHQ-PDDHADQFSA-N
MW202.30 g/mol
LogP3.27
Rot. Bonds4

About 4-methyl-1-[(3Z,5Z)-5-methyl-2-methylidenehepta-3,5-dienyl]pyrazole

4-methyl-1-[(3Z,5Z)-5-methyl-2-methylidenehepta-3,5-dienyl]pyrazole (PubChem CID 134550795) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 4-methyl-1-[(3Z,5Z)-5-methyl-2-methylidenehepta-3,5-dienyl]pyrazole.

Molecular Properties

Compound Name4-methyl-1-[(3Z,5Z)-5-methyl-2-methylidenehepta-3,5-dienyl]pyrazole
PubChem CID134550795
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name4-methyl-1-[(3Z,5Z)-5-methyl-2-methylidenehepta-3,5-dienyl]pyrazole
SMILESC=C(/C=C\C(C)=C/C)Cn1cc(C)cn1
InChIInChI=1S/C13H18N2/c1-5-11(2)6-7-12(3)9-15-10-13(4)8-14-15/h5-8,10H,3,9H2,1-2,4H3/b7-6-,11-5-
InChIKeyAZPUVDCKUFQKHQ-PDDHADQFSA-N
XLogP3.27
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.27
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 4-methyl-1-[(3Z,5Z)-5-methyl-2-methylidenehepta-3,5-dienyl]pyrazole?
The IUPAC name of 4-methyl-1-[(3Z,5Z)-5-methyl-2-methylidenehepta-3,5-dienyl]pyrazole (CID 134550795) is 4-methyl-1-[(3Z,5Z)-5-methyl-2-methylidenehepta-3,5-dienyl]pyrazole.
What is the SMILES notation for 4-methyl-1-[(3Z,5Z)-5-methyl-2-methylidenehepta-3,5-dienyl]pyrazole?
The canonical SMILES for 4-methyl-1-[(3Z,5Z)-5-methyl-2-methylidenehepta-3,5-dienyl]pyrazole is C=C(/C=C\C(C)=C/C)Cn1cc(C)cn1.
What is the InChIKey of 4-methyl-1-[(3Z,5Z)-5-methyl-2-methylidenehepta-3,5-dienyl]pyrazole?
The InChIKey is AZPUVDCKUFQKHQ-PDDHADQFSA-N. The full InChI is InChI=1S/C13H18N2/c1-5-11(2)6-7-12(3)9-15-10-13(4)8-14-15/h5-8,10H,3,9H2,1-2,4H3/b7-6-,11-5-.
What are the key properties of 4-methyl-1-[(3Z,5Z)-5-methyl-2-methylidenehepta-3,5-dienyl]pyrazole?
4-methyl-1-[(3Z,5Z)-5-methyl-2-methylidenehepta-3,5-dienyl]pyrazole has a molecular weight of 202.30 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(3Z,5Z)-5-methyl-2-methylidenehepta-3,5-dienyl]pyrazole is sourced from PubChem (CID 134550795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).