N-(5-chloro-2-fluorophenyl)-3-(3-chlorophenyl)-1H-pyrazole-5-carboxamide

C16H10Cl2FN3O — CID 46920230

IUPACN-(5-chloro-2-fluorophenyl)-3-(3-chlorophenyl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1F)c1cc(-c2cccc(Cl)c2)n[nH]1
InChIInChI=1S/C16H10Cl2FN3O/c17-10-3-1-2-9(6-10)13-8-15(22-21-13)16(23)20-14-7-11(18)4-5-12(14)19/h1-8H,(H,20,23)(H,21,22)
InChIKeyYTNQAWPXIHMGFN-UHFFFAOYSA-N
MW350.18 g/mol
LogP4.77
Rot. Bonds3

About N-(5-chloro-2-fluorophenyl)-3-(3-chlorophenyl)-1H-pyrazole-5-carboxamide

N-(5-chloro-2-fluorophenyl)-3-(3-chlorophenyl)-1H-pyrazole-5-carboxamide (PubChem CID 46920230) has the molecular formula C16H10Cl2FN3O and a molecular weight of 350.18 g/mol. Its IUPAC name is N-(5-chloro-2-fluorophenyl)-3-(3-chlorophenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-fluorophenyl)-3-(3-chlorophenyl)-1H-pyrazole-5-carboxamide
PubChem CID46920230
Molecular FormulaC16H10Cl2FN3O
Molecular Weight350.18 g/mol
Exact Mass349.02
IUPAC NameN-(5-chloro-2-fluorophenyl)-3-(3-chlorophenyl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1F)c1cc(-c2cccc(Cl)c2)n[nH]1
InChIInChI=1S/C16H10Cl2FN3O/c17-10-3-1-2-9(6-10)13-8-15(22-21-13)16(23)20-14-7-11(18)4-5-12(14)19/h1-8H,(H,20,23)(H,21,22)
InChIKeyYTNQAWPXIHMGFN-UHFFFAOYSA-N
XLogP4.77
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.18
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloro-5-fluorophenyl)-3-(3-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 46920191
N-(2,5-dichlorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030500
3-(3-chlorophenyl)-N-quinolin-5-yl-1H-pyrazole-5-carboxamide
CID 46404499
3-(3-chlorophenyl)-N-(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46920150
N-(2-fluoro-5-methylphenyl)-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509699
N-[5-chloro-2-(dimethylamino)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 56580879
3-(4-chlorophenyl)-N-(3-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 46920010
3-(3-chlorophenyl)-N-(3-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide
CID 46920141
N'-(2-chlorobenzoyl)-3-(3-chlorophenyl)-1H-pyrazole-5-carbohydrazide
CID 55624453
N-(5-chloro-2-fluorophenyl)-4-fluorobenzamide
CID 2664585
N-(2-chloro-5-fluorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030505
5-(3-chlorophenyl)-N-(2,5-difluorophenyl)-1,3-oxazole-4-carboxamide
CID 3232315

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-fluorophenyl)-3-(3-chlorophenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(5-chloro-2-fluorophenyl)-3-(3-chlorophenyl)-1H-pyrazole-5-carboxamide (CID 46920230) is N-(5-chloro-2-fluorophenyl)-3-(3-chlorophenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(5-chloro-2-fluorophenyl)-3-(3-chlorophenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(5-chloro-2-fluorophenyl)-3-(3-chlorophenyl)-1H-pyrazole-5-carboxamide is O=C(Nc1cc(Cl)ccc1F)c1cc(-c2cccc(Cl)c2)n[nH]1.
What is the InChIKey of N-(5-chloro-2-fluorophenyl)-3-(3-chlorophenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is YTNQAWPXIHMGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2FN3O/c17-10-3-1-2-9(6-10)13-8-15(22-21-13)16(23)20-14-7-11(18)4-5-12(14)19/h1-8H,(H,20,23)(H,21,22).
What are the key properties of N-(5-chloro-2-fluorophenyl)-3-(3-chlorophenyl)-1H-pyrazole-5-carboxamide?
N-(5-chloro-2-fluorophenyl)-3-(3-chlorophenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 350.18 g/mol, XLogP of 4.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-fluorophenyl)-3-(3-chlorophenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 46920230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).