(5-chloro-2-fluorophenyl)-(2-phenylpyrazol-3-yl)methanone

C16H10ClFN2O — CID 107330252

IUPAC(5-chloro-2-fluorophenyl)-(2-phenylpyrazol-3-yl)methanone
SMILESO=C(c1cc(Cl)ccc1F)c1ccnn1-c1ccccc1
InChIInChI=1S/C16H10ClFN2O/c17-11-6-7-14(18)13(10-11)16(21)15-8-9-19-20(15)12-4-2-1-3-5-12/h1-10H
InChIKeyCTMJOXTZTLWJFX-UHFFFAOYSA-N
MW300.72 g/mol
LogP3.90
Rot. Bonds3

About (5-chloro-2-fluorophenyl)-(2-phenylpyrazol-3-yl)methanone

(5-chloro-2-fluorophenyl)-(2-phenylpyrazol-3-yl)methanone (PubChem CID 107330252) has the molecular formula C16H10ClFN2O and a molecular weight of 300.72 g/mol. Its IUPAC name is (5-chloro-2-fluorophenyl)-(2-phenylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(5-chloro-2-fluorophenyl)-(2-phenylpyrazol-3-yl)methanone
PubChem CID107330252
Molecular FormulaC16H10ClFN2O
Molecular Weight300.72 g/mol
Exact Mass300.05
IUPAC Name(5-chloro-2-fluorophenyl)-(2-phenylpyrazol-3-yl)methanone
SMILESO=C(c1cc(Cl)ccc1F)c1ccnn1-c1ccccc1
InChIInChI=1S/C16H10ClFN2O/c17-11-6-7-14(18)13(10-11)16(21)15-8-9-19-20(15)12-4-2-1-3-5-12/h1-10H
InChIKeyCTMJOXTZTLWJFX-UHFFFAOYSA-N
XLogP3.90
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.72
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-difluorophenyl)-(2-phenylpyrazol-3-yl)methanone
CID 107330104
(3,4-dichlorophenyl)-(2-phenylpyrazol-3-yl)methanone
CID 107330203
(2-methylsulfanylphenyl)-(2-phenylpyrazol-3-yl)methanone
CID 107331845
(2,3-dimethylphenyl)-(2-phenylpyrazol-3-yl)methanone
CID 107331815
(2-bromo-4-methylphenyl)-(2-phenylpyrazol-3-yl)methanone
CID 107331774
(5-fluoro-2-pyridinyl)-(2-phenylpyrazol-3-yl)methanone
CID 107330183
(2-phenylpyrazol-3-yl)-pyridin-2-ylmethanone
CID 107330077
2-phenylpyrazole-3-carbothioamide
CID 83387115
(3-iodophenyl)-(2-phenylpyrazol-3-yl)methanone
CID 107331809
(2-fluorophenyl)-(2-hydroxypyrazol-3-yl)methanone
CID 101167756
2-amino-2-phenyl-1-(2-phenylpyrazol-3-yl)ethanone
CID 107331594
(1-methylimidazol-4-yl)-(2-phenylpyrazol-3-yl)methanone
CID 107977650

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-fluorophenyl)-(2-phenylpyrazol-3-yl)methanone?
The IUPAC name of (5-chloro-2-fluorophenyl)-(2-phenylpyrazol-3-yl)methanone (CID 107330252) is (5-chloro-2-fluorophenyl)-(2-phenylpyrazol-3-yl)methanone.
What is the SMILES notation for (5-chloro-2-fluorophenyl)-(2-phenylpyrazol-3-yl)methanone?
The canonical SMILES for (5-chloro-2-fluorophenyl)-(2-phenylpyrazol-3-yl)methanone is O=C(c1cc(Cl)ccc1F)c1ccnn1-c1ccccc1.
What is the InChIKey of (5-chloro-2-fluorophenyl)-(2-phenylpyrazol-3-yl)methanone?
The InChIKey is CTMJOXTZTLWJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClFN2O/c17-11-6-7-14(18)13(10-11)16(21)15-8-9-19-20(15)12-4-2-1-3-5-12/h1-10H.
What are the key properties of (5-chloro-2-fluorophenyl)-(2-phenylpyrazol-3-yl)methanone?
(5-chloro-2-fluorophenyl)-(2-phenylpyrazol-3-yl)methanone has a molecular weight of 300.72 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-fluorophenyl)-(2-phenylpyrazol-3-yl)methanone is sourced from PubChem (CID 107330252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).