1-methyl-4-(7-methylocta-4,6-dien-4-yl)pyrazole

C13H20N2 — CID 123472964

IUPAC1-methyl-4-(7-methylocta-4,6-dien-4-yl)pyrazole
SMILESCCCC(=CC=C(C)C)c1cnn(C)c1
InChIInChI=1S/C13H20N2/c1-5-6-12(8-7-11(2)3)13-9-14-15(4)10-13/h7-10H,5-6H2,1-4H3
InChIKeyRDDMNTPHZXWNNS-UHFFFAOYSA-N
MW204.32 g/mol
LogP3.57
Rot. Bonds4

About 1-methyl-4-(7-methylocta-4,6-dien-4-yl)pyrazole

1-methyl-4-(7-methylocta-4,6-dien-4-yl)pyrazole (PubChem CID 123472964) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 1-methyl-4-(7-methylocta-4,6-dien-4-yl)pyrazole.

Molecular Properties

Compound Name1-methyl-4-(7-methylocta-4,6-dien-4-yl)pyrazole
PubChem CID123472964
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name1-methyl-4-(7-methylocta-4,6-dien-4-yl)pyrazole
SMILESCCCC(=CC=C(C)C)c1cnn(C)c1
InChIInChI=1S/C13H20N2/c1-5-6-12(8-7-11(2)3)13-9-14-15(4)10-13/h7-10H,5-6H2,1-4H3
InChIKeyRDDMNTPHZXWNNS-UHFFFAOYSA-N
XLogP3.57
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.57
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

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1-Methyl-4-octylpyrazole
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1-(2-Fluoroethyl)-4-pentylpyrazole
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4-tert-butyl-3-[(3Z)-4-fluoropenta-1,3-dien-3-yl]-1-methylpyrazole
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CID 89962122
1-(2-Fluoroethyl)-4-(3-methylbutyl)pyrazole
CID 118303914
(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
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4-(1-Fluorobut-2-en-2-yl)-1-methylpyrazole
CID 123461946
3-(1-Fluorobut-2-enyl)-1-methyl-4-prop-1-en-2-ylpyrazole
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CID 126763540

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(7-methylocta-4,6-dien-4-yl)pyrazole?
The IUPAC name of 1-methyl-4-(7-methylocta-4,6-dien-4-yl)pyrazole (CID 123472964) is 1-methyl-4-(7-methylocta-4,6-dien-4-yl)pyrazole.
What is the SMILES notation for 1-methyl-4-(7-methylocta-4,6-dien-4-yl)pyrazole?
The canonical SMILES for 1-methyl-4-(7-methylocta-4,6-dien-4-yl)pyrazole is CCCC(=CC=C(C)C)c1cnn(C)c1.
What is the InChIKey of 1-methyl-4-(7-methylocta-4,6-dien-4-yl)pyrazole?
The InChIKey is RDDMNTPHZXWNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-5-6-12(8-7-11(2)3)13-9-14-15(4)10-13/h7-10H,5-6H2,1-4H3.
What are the key properties of 1-methyl-4-(7-methylocta-4,6-dien-4-yl)pyrazole?
1-methyl-4-(7-methylocta-4,6-dien-4-yl)pyrazole has a molecular weight of 204.32 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(7-methylocta-4,6-dien-4-yl)pyrazole is sourced from PubChem (CID 123472964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).