[5-(3,5-dichlorophenyl)-1H-pyrazol-4-yl]-(3,5-difluorophenyl)methanone

C16H8Cl2F2N2O — CID 118484780

IUPAC[5-(3,5-dichlorophenyl)-1H-pyrazol-4-yl]-(3,5-difluorophenyl)methanone
SMILESO=C(c1cc(F)cc(F)c1)c1cn[nH]c1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H8Cl2F2N2O/c17-10-1-8(2-11(18)5-10)15-14(7-21-22-15)16(23)9-3-12(19)6-13(20)4-9/h1-7H,(H,21,22)
InChIKeyWJQZXCRXIFTPFC-UHFFFAOYSA-N
MW353.16 g/mol
LogP4.89
Rot. Bonds3

About [5-(3,5-dichlorophenyl)-1H-pyrazol-4-yl]-(3,5-difluorophenyl)methanone

[5-(3,5-dichlorophenyl)-1H-pyrazol-4-yl]-(3,5-difluorophenyl)methanone (PubChem CID 118484780) has the molecular formula C16H8Cl2F2N2O and a molecular weight of 353.16 g/mol. Its IUPAC name is [5-(3,5-dichlorophenyl)-1H-pyrazol-4-yl]-(3,5-difluorophenyl)methanone.

Molecular Properties

Compound Name[5-(3,5-dichlorophenyl)-1H-pyrazol-4-yl]-(3,5-difluorophenyl)methanone
PubChem CID118484780
Molecular FormulaC16H8Cl2F2N2O
Molecular Weight353.16 g/mol
Exact Mass352.00
IUPAC Name[5-(3,5-dichlorophenyl)-1H-pyrazol-4-yl]-(3,5-difluorophenyl)methanone
SMILESO=C(c1cc(F)cc(F)c1)c1cn[nH]c1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H8Cl2F2N2O/c17-10-1-8(2-11(18)5-10)15-14(7-21-22-15)16(23)9-3-12(19)6-13(20)4-9/h1-7H,(H,21,22)
InChIKeyWJQZXCRXIFTPFC-UHFFFAOYSA-N
XLogP4.89
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.16
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-Chlorophenyl)-1H-pyrazole-4-carbaldehyde
CID 609912
(3P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-3-(4-chloro-2-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 166625099
(3P)-N-[(1S)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-3-(2-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 163201243
N-[(1S)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-5-(2,4-difluorophenyl)-1H-pyrazole-4-carboxamide
CID 171540184
N-[(1R)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 146091869
N-[(1S)-3-amino-3-oxo-1-phenylpropyl]-5-(3-chloro-4-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 155947641
N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 172447172
N-[(1S)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-5-(4-chloro-2-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 172451671
3-(3-Chlorophenyl)-1H-pyrazole-4-carboxaldehyde
CID 2757847
3-(2-Chlorophenyl)-1H-pyrazole-4-carboxaldehyde
CID 4714981
4-(4-chlorobenzoyl)-1H-pyrazole hydrochloride
CID 137951785
(4-fluorophenyl)-[4-[(E)-2-phenylethenyl]-1H-pyrazol-5-yl]methanone
CID 10803560

Frequently Asked Questions

What is the IUPAC name of [5-(3,5-dichlorophenyl)-1H-pyrazol-4-yl]-(3,5-difluorophenyl)methanone?
The IUPAC name of [5-(3,5-dichlorophenyl)-1H-pyrazol-4-yl]-(3,5-difluorophenyl)methanone (CID 118484780) is [5-(3,5-dichlorophenyl)-1H-pyrazol-4-yl]-(3,5-difluorophenyl)methanone.
What is the SMILES notation for [5-(3,5-dichlorophenyl)-1H-pyrazol-4-yl]-(3,5-difluorophenyl)methanone?
The canonical SMILES for [5-(3,5-dichlorophenyl)-1H-pyrazol-4-yl]-(3,5-difluorophenyl)methanone is O=C(c1cc(F)cc(F)c1)c1cn[nH]c1-c1cc(Cl)cc(Cl)c1.
What is the InChIKey of [5-(3,5-dichlorophenyl)-1H-pyrazol-4-yl]-(3,5-difluorophenyl)methanone?
The InChIKey is WJQZXCRXIFTPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8Cl2F2N2O/c17-10-1-8(2-11(18)5-10)15-14(7-21-22-15)16(23)9-3-12(19)6-13(20)4-9/h1-7H,(H,21,22).
What are the key properties of [5-(3,5-dichlorophenyl)-1H-pyrazol-4-yl]-(3,5-difluorophenyl)methanone?
[5-(3,5-dichlorophenyl)-1H-pyrazol-4-yl]-(3,5-difluorophenyl)methanone has a molecular weight of 353.16 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,5-dichlorophenyl)-1H-pyrazol-4-yl]-(3,5-difluorophenyl)methanone is sourced from PubChem (CID 118484780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).