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

C10H5Cl3FN3O — CID 16659762

IUPAC4,5-dichloro-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1Cl)c1n[nH]c(Cl)c1Cl
InChIInChI=1S/C10H5Cl3FN3O/c11-5-3-4(14)1-2-6(5)15-10(18)8-7(12)9(13)17-16-8/h1-3H,(H,15,18)(H,16,17)
InChIKeyBEVTYLZKKCIGFB-UHFFFAOYSA-N
MW308.53 g/mol
LogP3.76
Rot. Bonds2

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

4,5-dichloro-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-3-carboxamide (PubChem CID 16659762) has the molecular formula C10H5Cl3FN3O and a molecular weight of 308.53 g/mol. Its IUPAC name is 4,5-dichloro-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-3-carboxamide
PubChem CID16659762
Molecular FormulaC10H5Cl3FN3O
Molecular Weight308.53 g/mol
Exact Mass306.95
IUPAC Name4,5-dichloro-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1Cl)c1n[nH]c(Cl)c1Cl
InChIInChI=1S/C10H5Cl3FN3O/c11-5-3-4(14)1-2-6(5)15-10(18)8-7(12)9(13)17-16-8/h1-3H,(H,15,18)(H,16,17)
InChIKeyBEVTYLZKKCIGFB-UHFFFAOYSA-N
XLogP3.76
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.53
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-Chlorophenyl)-1H-pyrazole-3-carboxamide
CID 668390
4-bromo-5-chloro-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-3-carboxamide
CID 122185518
N-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxamide
CID 3495695
4-Chloro-N-(2-chloro-4-fluorophenyl)pyrazole-3-carboxamide
CID 16659602
5-Chloro-N-(2-chloro-4-fluorophenyl)pyrazole-3-carboxamide
CID 16659603
N-(2-Chloro-4-fluorophenyl)-4-fluoropyrazole-3-carboxamide
CID 16659607
N-(2-Chloro-4-fluorophenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 16659761
N-(2-chloro-4-fluorophenyl)-4-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 16659930
N-(2-Chloro-4-fluorophenyl)-1H-pyrazole-3-carboxamide
CID 68947659
4-Methylpyrazole-3-carboxylic acid (2-chloro-4-fluorophenyl)amide
CID 86232761
5-Methylpyrazole-3-carboxylic acid (2-chloro-4-fluorophenyl)amide
CID 86232780
4-Methyl-5-trimethylsilylpyrazole-3-carboxylic acid (2-chloro-4-fluorophenyl)amide
CID 86619648

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4,5-dichloro-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-3-carboxamide (CID 16659762) is 4,5-dichloro-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4,5-dichloro-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4,5-dichloro-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-3-carboxamide is O=C(Nc1ccc(F)cc1Cl)c1n[nH]c(Cl)c1Cl.
What is the InChIKey of 4,5-dichloro-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-3-carboxamide?
The InChIKey is BEVTYLZKKCIGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl3FN3O/c11-5-3-4(14)1-2-6(5)15-10(18)8-7(12)9(13)17-16-8/h1-3H,(H,15,18)(H,16,17).
What are the key properties of 4,5-dichloro-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-3-carboxamide?
4,5-dichloro-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-3-carboxamide has a molecular weight of 308.53 g/mol, XLogP of 3.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 16659762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).