5-[(E)-3-(3,4-dichlorophenyl)prop-1-enyl]-3-(4-fluorophenyl)-1H-pyrazole

C18H13Cl2FN2 — CID 144798858

IUPAC5-[(E)-3-(3,4-dichlorophenyl)prop-1-enyl]-3-(4-fluorophenyl)-1H-pyrazole
SMILESFc1ccc(-c2cc(/C=C/Cc3ccc(Cl)c(Cl)c3)[nH]n2)cc1
InChIInChI=1S/C18H13Cl2FN2/c19-16-9-4-12(10-17(16)20)2-1-3-15-11-18(23-22-15)13-5-7-14(21)8-6-13/h1,3-11H,2H2,(H,22,23)/b3-1+
InChIKeyFQMAAYKAVBZOLU-HNQUOIGGSA-N
MW347.22 g/mol
LogP5.78
Rot. Bonds4

About 5-[(E)-3-(3,4-dichlorophenyl)prop-1-enyl]-3-(4-fluorophenyl)-1H-pyrazole

5-[(E)-3-(3,4-dichlorophenyl)prop-1-enyl]-3-(4-fluorophenyl)-1H-pyrazole (PubChem CID 144798858) has the molecular formula C18H13Cl2FN2 and a molecular weight of 347.22 g/mol. Its IUPAC name is 5-[(E)-3-(3,4-dichlorophenyl)prop-1-enyl]-3-(4-fluorophenyl)-1H-pyrazole.

Molecular Properties

Compound Name5-[(E)-3-(3,4-dichlorophenyl)prop-1-enyl]-3-(4-fluorophenyl)-1H-pyrazole
PubChem CID144798858
Molecular FormulaC18H13Cl2FN2
Molecular Weight347.22 g/mol
Exact Mass346.04
IUPAC Name5-[(E)-3-(3,4-dichlorophenyl)prop-1-enyl]-3-(4-fluorophenyl)-1H-pyrazole
SMILESFc1ccc(-c2cc(/C=C/Cc3ccc(Cl)c(Cl)c3)[nH]n2)cc1
InChIInChI=1S/C18H13Cl2FN2/c19-16-9-4-12(10-17(16)20)2-1-3-15-11-18(23-22-15)13-5-7-14(21)8-6-13/h1,3-11H,2H2,(H,22,23)/b3-1+
InChIKeyFQMAAYKAVBZOLU-HNQUOIGGSA-N
XLogP5.78
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.22
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-dichloro-4-[(E)-4-chlorobut-2-enyl]benzene
CID 21327838
(E)-1-(4-chloro-3-methylphenyl)-3-[3-[4-(hydroxymethyl)phenyl]-1H-pyrazol-5-yl]prop-2-en-1-one
CID 122414119
1-[(3,4-dichlorophenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine
CID 22194716
4-[2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]ethenyl]phenol
CID 136626504
3-(3,4-dichlorophenyl)-N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide
CID 19513682
N-(2-chloro-5-fluorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030505
[4-chloro-3-(4-fluorophenyl)phenyl]methanamine
CID 39231998
1,2-dichloro-4-[2-(4-fluorophenyl)ethenylsulfonylmethyl]benzene
CID 54262996
3-[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1-(3,4-dichlorophenyl)prop-2-en-1-one
CID 123340049
1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]methanesulfonamide
CID 46771997
N-[(3,4-dichlorophenyl)methyl]-2,3,5-trifluoroaniline
CID 55193721
[3,5-dichloro-4-(4-fluorophenyl)phenyl]methanol
CID 66764611

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-3-(3,4-dichlorophenyl)prop-1-enyl]-3-(4-fluorophenyl)-1H-pyrazole?
The IUPAC name of 5-[(E)-3-(3,4-dichlorophenyl)prop-1-enyl]-3-(4-fluorophenyl)-1H-pyrazole (CID 144798858) is 5-[(E)-3-(3,4-dichlorophenyl)prop-1-enyl]-3-(4-fluorophenyl)-1H-pyrazole.
What is the SMILES notation for 5-[(E)-3-(3,4-dichlorophenyl)prop-1-enyl]-3-(4-fluorophenyl)-1H-pyrazole?
The canonical SMILES for 5-[(E)-3-(3,4-dichlorophenyl)prop-1-enyl]-3-(4-fluorophenyl)-1H-pyrazole is Fc1ccc(-c2cc(/C=C/Cc3ccc(Cl)c(Cl)c3)[nH]n2)cc1.
What is the InChIKey of 5-[(E)-3-(3,4-dichlorophenyl)prop-1-enyl]-3-(4-fluorophenyl)-1H-pyrazole?
The InChIKey is FQMAAYKAVBZOLU-HNQUOIGGSA-N. The full InChI is InChI=1S/C18H13Cl2FN2/c19-16-9-4-12(10-17(16)20)2-1-3-15-11-18(23-22-15)13-5-7-14(21)8-6-13/h1,3-11H,2H2,(H,22,23)/b3-1+.
What are the key properties of 5-[(E)-3-(3,4-dichlorophenyl)prop-1-enyl]-3-(4-fluorophenyl)-1H-pyrazole?
5-[(E)-3-(3,4-dichlorophenyl)prop-1-enyl]-3-(4-fluorophenyl)-1H-pyrazole has a molecular weight of 347.22 g/mol, XLogP of 5.78, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-3-(3,4-dichlorophenyl)prop-1-enyl]-3-(4-fluorophenyl)-1H-pyrazole is sourced from PubChem (CID 144798858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).