1-(4-fluorophenyl)-5-methyl-4-(2-methyl-6-methylideneocta-1,3-dien-3-yl)pyrazole

C20H23FN2 — CID 91312702

IUPAC1-(4-fluorophenyl)-5-methyl-4-(2-methyl-6-methylideneocta-1,3-dien-3-yl)pyrazole
SMILESC=C(CC)CC=C(C(=C)C)c1cnn(-c2ccc(F)cc2)c1C
InChIInChI=1S/C20H23FN2/c1-6-15(4)7-12-19(14(2)3)20-13-22-23(16(20)5)18-10-8-17(21)9-11-18/h8-13H,2,4,6-7H2,1,3,5H3
InChIKeyGLTLFMQJWZWJEA-UHFFFAOYSA-N
MW310.42 g/mol
LogP5.64
Rot. Bonds6

About 1-(4-fluorophenyl)-5-methyl-4-(2-methyl-6-methylideneocta-1,3-dien-3-yl)pyrazole

1-(4-fluorophenyl)-5-methyl-4-(2-methyl-6-methylideneocta-1,3-dien-3-yl)pyrazole (PubChem CID 91312702) has the molecular formula C20H23FN2 and a molecular weight of 310.42 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-methyl-4-(2-methyl-6-methylideneocta-1,3-dien-3-yl)pyrazole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-methyl-4-(2-methyl-6-methylideneocta-1,3-dien-3-yl)pyrazole
PubChem CID91312702
Molecular FormulaC20H23FN2
Molecular Weight310.42 g/mol
Exact Mass310.18
IUPAC Name1-(4-fluorophenyl)-5-methyl-4-(2-methyl-6-methylideneocta-1,3-dien-3-yl)pyrazole
SMILESC=C(CC)CC=C(C(=C)C)c1cnn(-c2ccc(F)cc2)c1C
InChIInChI=1S/C20H23FN2/c1-6-15(4)7-12-19(14(2)3)20-13-22-23(16(20)5)18-10-8-17(21)9-11-18/h8-13H,2,4,6-7H2,1,3,5H3
InChIKeyGLTLFMQJWZWJEA-UHFFFAOYSA-N
XLogP5.64
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.42
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-5-methylidene-N-(1-thiophen-2-ylpropyl)hept-2-enamide
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N-[1-(5-ethylsulfonyl-3-pyridinyl)ethyl]-2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-5-methylidenehept-2-enamide
CID 90866178
N-(2-bromoprop-2-enyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 47438698
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1-(4-fluorophenyl)-5-methyl-N-(2-methylbutan-2-yl)pyrazole-4-carboxamide
CID 37133499
2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]acetaldehyde
CID 83887983
N-(1-aminopropan-2-yl)-1-(4-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide
CID 119582420
N-(2-amino-2-methylpropyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 119627135
3-(3-ethoxyphenyl)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]prop-2-en-1-one
CID 76871107
(E)-3-(2,5-difluorophenyl)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]prop-2-en-1-one
CID 60592039
N-[2-(diethylamino)-2-phenylethyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 46578214
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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-methyl-4-(2-methyl-6-methylideneocta-1,3-dien-3-yl)pyrazole?
The IUPAC name of 1-(4-fluorophenyl)-5-methyl-4-(2-methyl-6-methylideneocta-1,3-dien-3-yl)pyrazole (CID 91312702) is 1-(4-fluorophenyl)-5-methyl-4-(2-methyl-6-methylideneocta-1,3-dien-3-yl)pyrazole.
What is the SMILES notation for 1-(4-fluorophenyl)-5-methyl-4-(2-methyl-6-methylideneocta-1,3-dien-3-yl)pyrazole?
The canonical SMILES for 1-(4-fluorophenyl)-5-methyl-4-(2-methyl-6-methylideneocta-1,3-dien-3-yl)pyrazole is C=C(CC)CC=C(C(=C)C)c1cnn(-c2ccc(F)cc2)c1C.
What is the InChIKey of 1-(4-fluorophenyl)-5-methyl-4-(2-methyl-6-methylideneocta-1,3-dien-3-yl)pyrazole?
The InChIKey is GLTLFMQJWZWJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2/c1-6-15(4)7-12-19(14(2)3)20-13-22-23(16(20)5)18-10-8-17(21)9-11-18/h8-13H,2,4,6-7H2,1,3,5H3.
What are the key properties of 1-(4-fluorophenyl)-5-methyl-4-(2-methyl-6-methylideneocta-1,3-dien-3-yl)pyrazole?
1-(4-fluorophenyl)-5-methyl-4-(2-methyl-6-methylideneocta-1,3-dien-3-yl)pyrazole has a molecular weight of 310.42 g/mol, XLogP of 5.64, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-methyl-4-(2-methyl-6-methylideneocta-1,3-dien-3-yl)pyrazole is sourced from PubChem (CID 91312702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).