1-[5-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-3-phenylprop-2-en-1-one

C24H19FN2O — CID 126796107

IUPAC1-[5-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-3-phenylprop-2-en-1-one
SMILESO=C(C=Cc1ccccc1)N1N=C(c2ccc(F)cc2)CC1c1ccccc1
InChIInChI=1S/C24H19FN2O/c25-21-14-12-19(13-15-21)22-17-23(20-9-5-2-6-10-20)27(26-22)24(28)16-11-18-7-3-1-4-8-18/h1-16,23H,17H2
InChIKeyNNPXQPOOTVDCBI-UHFFFAOYSA-N
MW370.43 g/mol
LogP5.22
Rot. Bonds4

About 1-[5-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-3-phenylprop-2-en-1-one

1-[5-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-3-phenylprop-2-en-1-one (PubChem CID 126796107) has the molecular formula C24H19FN2O and a molecular weight of 370.43 g/mol. Its IUPAC name is 1-[5-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name1-[5-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-3-phenylprop-2-en-1-one
PubChem CID126796107
Molecular FormulaC24H19FN2O
Molecular Weight370.43 g/mol
Exact Mass370.15
IUPAC Name1-[5-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-3-phenylprop-2-en-1-one
SMILESO=C(C=Cc1ccccc1)N1N=C(c2ccc(F)cc2)CC1c1ccccc1
InChIInChI=1S/C24H19FN2O/c25-21-14-12-19(13-15-21)22-17-23(20-9-5-2-6-10-20)27(26-22)24(28)16-11-18-7-3-1-4-8-18/h1-16,23H,17H2
InChIKeyNNPXQPOOTVDCBI-UHFFFAOYSA-N
XLogP5.22
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.43
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-1-[(3R)-3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-3-phenylprop-2-en-1-one
CID 7390968
1-[3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-3-phenylprop-2-en-1-one
CID 5216035
(E)-1-[(3S)-5-(2-hydroxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-3-phenylprop-2-en-1-one
CID 1405659
1-[5-(4-bromophenyl)-3-[4-(dimethylamino)phenyl]-3,4-dihydropyrazol-2-yl]-3-phenylprop-2-en-1-one
CID 3738757
[2-[(3R)-3-phenyl-2-[(E)-3-phenylprop-2-enoyl]-3,4-dihydropyrazol-5-yl]phenyl] acetate
CID 7536953
1-[5-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-pyrrolidin-1-ylethanone
CID 42844621
4-[3-(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
CID 3712844
4-[(3R)-3-(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
CID 935727
(3R)-3,5-bis(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide
CID 139040547
1-[2-[(3S)-5-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperidine-4-carboxamide
CID 93227705
[2-[3-phenyl-2-(3-phenylprop-2-enoyl)-3,4-dihydropyrazol-5-yl]naphthalen-1-yl] acetate
CID 5009483
2-(4-benzylpiperidin-1-yl)-1-[(3R)-5-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone
CID 93227062

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-3-phenylprop-2-en-1-one?
The IUPAC name of 1-[5-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-3-phenylprop-2-en-1-one (CID 126796107) is 1-[5-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-3-phenylprop-2-en-1-one.
What is the SMILES notation for 1-[5-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-3-phenylprop-2-en-1-one?
The canonical SMILES for 1-[5-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-3-phenylprop-2-en-1-one is O=C(C=Cc1ccccc1)N1N=C(c2ccc(F)cc2)CC1c1ccccc1.
What is the InChIKey of 1-[5-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-3-phenylprop-2-en-1-one?
The InChIKey is NNPXQPOOTVDCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O/c25-21-14-12-19(13-15-21)22-17-23(20-9-5-2-6-10-20)27(26-22)24(28)16-11-18-7-3-1-4-8-18/h1-16,23H,17H2.
What are the key properties of 1-[5-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-3-phenylprop-2-en-1-one?
1-[5-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-3-phenylprop-2-en-1-one has a molecular weight of 370.43 g/mol, XLogP of 5.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-3-phenylprop-2-en-1-one is sourced from PubChem (CID 126796107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).