4-(4-methylpenta-1,3-dien-3-yl)-1-(trifluoromethyl)pyrazole

C10H11F3N2 — CID 153359424

IUPAC4-(4-methylpenta-1,3-dien-3-yl)-1-(trifluoromethyl)pyrazole
SMILESC=CC(=C(C)C)c1cnn(C(F)(F)F)c1
InChIInChI=1S/C10H11F3N2/c1-4-9(7(2)3)8-5-14-15(6-8)10(11,12)13/h4-6H,1H2,2-3H3
InChIKeyCIHNWDGTHFBYKD-UHFFFAOYSA-N
MW216.21 g/mol
LogP3.34
Rot. Bonds2

About 4-(4-methylpenta-1,3-dien-3-yl)-1-(trifluoromethyl)pyrazole

4-(4-methylpenta-1,3-dien-3-yl)-1-(trifluoromethyl)pyrazole (PubChem CID 153359424) has the molecular formula C10H11F3N2 and a molecular weight of 216.21 g/mol. Its IUPAC name is 4-(4-methylpenta-1,3-dien-3-yl)-1-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name4-(4-methylpenta-1,3-dien-3-yl)-1-(trifluoromethyl)pyrazole
PubChem CID153359424
Molecular FormulaC10H11F3N2
Molecular Weight216.21 g/mol
Exact Mass216.09
IUPAC Name4-(4-methylpenta-1,3-dien-3-yl)-1-(trifluoromethyl)pyrazole
SMILESC=CC(=C(C)C)c1cnn(C(F)(F)F)c1
InChIInChI=1S/C10H11F3N2/c1-4-9(7(2)3)8-5-14-15(6-8)10(11,12)13/h4-6H,1H2,2-3H3
InChIKeyCIHNWDGTHFBYKD-UHFFFAOYSA-N
XLogP3.34
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.21
LogP ≤ 53.34
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

3-(difluoromethyl)-4-ethenyl-1-methyl-1H-pyrazole
CID 59499487
4-(4,4-Difluorocyclohex-1-en-1-yl)-1-(methoxymethyl)-1H-pyrazole
CID 89962122
4-Ethenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole
CID 90162145
4-ethenyl-1-methyl-3-(trifluoromethyl)-1H-pyrazole
CID 90162148
1-Hepta-2,4-dien-2-yl-4-methyl-5-(trifluoromethyl)pyrazole
CID 90953930
1-(Difluoromethyl)-4-ethylpyrazole
CID 117883386
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-But-2-en-2-yl-1-(difluoromethyl)-3-methylpyrazole
CID 123152613
4-(3-Fluorobuta-1,3-dien-2-yl)-1-methylpyrazole
CID 123160841
4-(1-Fluorobut-2-en-2-yl)-1-methylpyrazole
CID 123461946

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpenta-1,3-dien-3-yl)-1-(trifluoromethyl)pyrazole?
The IUPAC name of 4-(4-methylpenta-1,3-dien-3-yl)-1-(trifluoromethyl)pyrazole (CID 153359424) is 4-(4-methylpenta-1,3-dien-3-yl)-1-(trifluoromethyl)pyrazole.
What is the SMILES notation for 4-(4-methylpenta-1,3-dien-3-yl)-1-(trifluoromethyl)pyrazole?
The canonical SMILES for 4-(4-methylpenta-1,3-dien-3-yl)-1-(trifluoromethyl)pyrazole is C=CC(=C(C)C)c1cnn(C(F)(F)F)c1.
What is the InChIKey of 4-(4-methylpenta-1,3-dien-3-yl)-1-(trifluoromethyl)pyrazole?
The InChIKey is CIHNWDGTHFBYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2/c1-4-9(7(2)3)8-5-14-15(6-8)10(11,12)13/h4-6H,1H2,2-3H3.
What are the key properties of 4-(4-methylpenta-1,3-dien-3-yl)-1-(trifluoromethyl)pyrazole?
4-(4-methylpenta-1,3-dien-3-yl)-1-(trifluoromethyl)pyrazole has a molecular weight of 216.21 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpenta-1,3-dien-3-yl)-1-(trifluoromethyl)pyrazole is sourced from PubChem (CID 153359424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).