2-cyclohexa-1,5-dien-1-yl-3-ethenyl-4-(1-fluoropropyl)-5-phenyl-3,4-dihydropyrazole

C20H23FN2 — CID 172578677

IUPAC2-cyclohexa-1,5-dien-1-yl-3-ethenyl-4-(1-fluoropropyl)-5-phenyl-3,4-dihydropyrazole
SMILESC=CC1C(C(F)CC)C(c2ccccc2)=NN1C1=CCCC=C1
InChIInChI=1S/C20H23FN2/c1-3-17(21)19-18(4-2)23(16-13-9-6-10-14-16)22-20(19)15-11-7-5-8-12-15/h4-5,7-9,11-14,17-19H,2-3,6,10H2,1H3
InChIKeyNFBGZLDUKYPODA-UHFFFAOYSA-N
MW310.42 g/mol
LogP4.86
Rot. Bonds5

About 2-cyclohexa-1,5-dien-1-yl-3-ethenyl-4-(1-fluoropropyl)-5-phenyl-3,4-dihydropyrazole

2-cyclohexa-1,5-dien-1-yl-3-ethenyl-4-(1-fluoropropyl)-5-phenyl-3,4-dihydropyrazole (PubChem CID 172578677) has the molecular formula C20H23FN2 and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-cyclohexa-1,5-dien-1-yl-3-ethenyl-4-(1-fluoropropyl)-5-phenyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name2-cyclohexa-1,5-dien-1-yl-3-ethenyl-4-(1-fluoropropyl)-5-phenyl-3,4-dihydropyrazole
PubChem CID172578677
Molecular FormulaC20H23FN2
Molecular Weight310.42 g/mol
Exact Mass310.18
IUPAC Name2-cyclohexa-1,5-dien-1-yl-3-ethenyl-4-(1-fluoropropyl)-5-phenyl-3,4-dihydropyrazole
SMILESC=CC1C(C(F)CC)C(c2ccccc2)=NN1C1=CCCC=C1
InChIInChI=1S/C20H23FN2/c1-3-17(21)19-18(4-2)23(16-13-9-6-10-14-16)22-20(19)15-11-7-5-8-12-15/h4-5,7-9,11-14,17-19H,2-3,6,10H2,1H3
InChIKeyNFBGZLDUKYPODA-UHFFFAOYSA-N
XLogP4.86
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3,5-diphenyl-4,5-dihydro-1H-pyrazole
CID 10376837
3-(2-Fluorophenyl)-2-methyl-5-phenyl-3,4-dihydropyrazole
CID 72164304
3-(3-Fluorophenyl)-2-methyl-5-phenyl-3,4-dihydropyrazole
CID 72164305
3-(4-Fluorophenyl)-2-methyl-5-phenyl-3,4-dihydropyrazole
CID 72164306
N-[(3-fluorophenyl)methyl]-N-[(E)-1-phenylethylideneamino]propan-2-amine
CID 135072768
5-(4-Ethylphenyl)-3-(4-fluorophenyl)-2-methyl-3,4-dihydropyrazole
CID 56590130
5-(4-Fluorophenyl)-2-methyl-3-phenyl-3,4-dihydropyrazole
CID 56590612
3,5-Diphenyl-2-(2,2,2-trifluoroethyl)-3,4-dihydropyrazole
CID 56590616
5-(2,5-Difluorophenyl)-2,4-dimethyl-3-phenyl-3,4-dihydropyrazole
CID 69527388
3-(2-Fluorophenyl)-5-methyl-2-pentyl-3,4-dihydropyrazole
CID 71025637
5-[1-(4-fluorophenyl)ethylideneamino]-N,N,4-trimethylcyclohexa-1,5-dien-1-amine
CID 87918226
(8aS)-2-(4-fluorophenyl)-N,N-dimethyl-8,8a-dihydroquinolin-7-amine
CID 89789321

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,5-dien-1-yl-3-ethenyl-4-(1-fluoropropyl)-5-phenyl-3,4-dihydropyrazole?
The IUPAC name of 2-cyclohexa-1,5-dien-1-yl-3-ethenyl-4-(1-fluoropropyl)-5-phenyl-3,4-dihydropyrazole (CID 172578677) is 2-cyclohexa-1,5-dien-1-yl-3-ethenyl-4-(1-fluoropropyl)-5-phenyl-3,4-dihydropyrazole.
What is the SMILES notation for 2-cyclohexa-1,5-dien-1-yl-3-ethenyl-4-(1-fluoropropyl)-5-phenyl-3,4-dihydropyrazole?
The canonical SMILES for 2-cyclohexa-1,5-dien-1-yl-3-ethenyl-4-(1-fluoropropyl)-5-phenyl-3,4-dihydropyrazole is C=CC1C(C(F)CC)C(c2ccccc2)=NN1C1=CCCC=C1.
What is the InChIKey of 2-cyclohexa-1,5-dien-1-yl-3-ethenyl-4-(1-fluoropropyl)-5-phenyl-3,4-dihydropyrazole?
The InChIKey is NFBGZLDUKYPODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2/c1-3-17(21)19-18(4-2)23(16-13-9-6-10-14-16)22-20(19)15-11-7-5-8-12-15/h4-5,7-9,11-14,17-19H,2-3,6,10H2,1H3.
What are the key properties of 2-cyclohexa-1,5-dien-1-yl-3-ethenyl-4-(1-fluoropropyl)-5-phenyl-3,4-dihydropyrazole?
2-cyclohexa-1,5-dien-1-yl-3-ethenyl-4-(1-fluoropropyl)-5-phenyl-3,4-dihydropyrazole has a molecular weight of 310.42 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,5-dien-1-yl-3-ethenyl-4-(1-fluoropropyl)-5-phenyl-3,4-dihydropyrazole is sourced from PubChem (CID 172578677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).