N-(2,5-dichlorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide

C16H10Cl2FN3O — CID 45030500

IUPACN-(2,5-dichlorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)c1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C16H10Cl2FN3O/c17-10-3-6-12(18)14(7-10)20-16(23)15-8-13(21-22-15)9-1-4-11(19)5-2-9/h1-8H,(H,20,23)(H,21,22)
InChIKeyLSUGQSSRCMLBBB-UHFFFAOYSA-N
MW350.18 g/mol
LogP4.77
Rot. Bonds3

About N-(2,5-dichlorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide

N-(2,5-dichlorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide (PubChem CID 45030500) has the molecular formula C16H10Cl2FN3O and a molecular weight of 350.18 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
PubChem CID45030500
Molecular FormulaC16H10Cl2FN3O
Molecular Weight350.18 g/mol
Exact Mass349.02
IUPAC NameN-(2,5-dichlorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)c1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C16H10Cl2FN3O/c17-10-3-6-12(18)14(7-10)20-16(23)15-8-13(21-22-15)9-1-4-11(19)5-2-9/h1-8H,(H,20,23)(H,21,22)
InChIKeyLSUGQSSRCMLBBB-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-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030505
N-(2-chloro-5-fluorophenyl)-3-(3-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 46920191
N-(5-chloro-2-fluorophenyl)-3-(3-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 46920230
N-(3,5-difluorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030497
3-(4-chlorophenyl)-N-(3-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 46920010
N-(2,5-dichlorophenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
CID 51046396
N-(2-aminophenyl)-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 90908320
N-(5-chloro-2-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53087364
N-(3,5-dimethylphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030468
3-(4-chlorophenyl)-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 45030405
3-(4-chlorophenyl)-N-(2,5-dimethylphenyl)-1H-pyrazole-5-carboxamide
CID 19509413
N-(4-chloro-2-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53087363

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(2,5-dichlorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide (CID 45030500) is N-(2,5-dichlorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide is O=C(Nc1cc(Cl)ccc1Cl)c1cc(-c2ccc(F)cc2)n[nH]1.
What is the InChIKey of N-(2,5-dichlorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is LSUGQSSRCMLBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2FN3O/c17-10-3-6-12(18)14(7-10)20-16(23)15-8-13(21-22-15)9-1-4-11(19)5-2-9/h1-8H,(H,20,23)(H,21,22).
What are the key properties of N-(2,5-dichlorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
N-(2,5-dichlorophenyl)-3-(4-fluorophenyl)-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-(2,5-dichlorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 45030500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).