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

C10H6Cl2FN3O — CID 16659602

IUPAC4-chloro-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1Cl)c1[nH]ncc1Cl
InChIInChI=1S/C10H6Cl2FN3O/c11-6-3-5(13)1-2-8(6)15-10(17)9-7(12)4-14-16-9/h1-4H,(H,14,16)(H,15,17)
InChIKeyLDNLMLHQSORWRM-UHFFFAOYSA-N
MW274.08 g/mol
LogP3.11
Rot. Bonds2

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

4-chloro-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxamide (PubChem CID 16659602) has the molecular formula C10H6Cl2FN3O and a molecular weight of 274.08 g/mol. Its IUPAC name is 4-chloro-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxamide
PubChem CID16659602
Molecular FormulaC10H6Cl2FN3O
Molecular Weight274.08 g/mol
Exact Mass272.99
IUPAC Name4-chloro-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1Cl)c1[nH]ncc1Cl
InChIInChI=1S/C10H6Cl2FN3O/c11-6-3-5(13)1-2-8(6)15-10(17)9-7(12)4-14-16-9/h1-4H,(H,14,16)(H,15,17)
InChIKeyLDNLMLHQSORWRM-UHFFFAOYSA-N
XLogP3.11
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.08
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-Phenyl-1H-pyrazole-3-carboxamide
CID 680935
4-(acetylamino)-N-(4-fluorophenyl)-1H-pyrazole-3-carboxamide
CID 24864077
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-(2,5-dichlorophenyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 840311
4-chloro-N-{3-nitrophenyl}-1H-pyrazole-3-carboxamide
CID 841256
N-(3-chlorophenyl)-1-ethyl-1H-pyrazole-3-carboxamide
CID 891989
N-(2,4-dichlorophenyl)-1-ethyl-1H-pyrazole-5-carboxamide
CID 892997
4-chloro-N-(3-chlorophenyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 903329
N-(2,5-dichlorophenyl)-1-ethyl-1H-pyrazole-5-carboxamide
CID 3235652
N-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxamide
CID 3495695
5-Chloro-N-(2-chloro-4-fluorophenyl)pyrazole-3-carboxamide
CID 16659603

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxamide (CID 16659602) is 4-chloro-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxamide is O=C(Nc1ccc(F)cc1Cl)c1[nH]ncc1Cl.
What is the InChIKey of 4-chloro-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is LDNLMLHQSORWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2FN3O/c11-6-3-5(13)1-2-8(6)15-10(17)9-7(12)4-14-16-9/h1-4H,(H,14,16)(H,15,17).
What are the key properties of 4-chloro-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxamide?
4-chloro-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 274.08 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 16659602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).