N-[4-chloro-1-(2-chloro-4-fluorophenyl)pyrazol-3-yl]formamide

C10H6Cl2FN3O — CID 174569313

IUPACN-[4-chloro-1-(2-chloro-4-fluorophenyl)pyrazol-3-yl]formamide
SMILESO=CNc1nn(-c2ccc(F)cc2Cl)cc1Cl
InChIInChI=1S/C10H6Cl2FN3O/c11-7-3-6(13)1-2-9(7)16-4-8(12)10(15-16)14-5-17/h1-5H,(H,14,15,17)
InChIKeyTXUWAWDCNXMDIZ-UHFFFAOYSA-N
MW274.08 g/mol
LogP2.89
Rot. Bonds3

About N-[4-chloro-1-(2-chloro-4-fluorophenyl)pyrazol-3-yl]formamide

N-[4-chloro-1-(2-chloro-4-fluorophenyl)pyrazol-3-yl]formamide (PubChem CID 174569313) has the molecular formula C10H6Cl2FN3O and a molecular weight of 274.08 g/mol. Its IUPAC name is N-[4-chloro-1-(2-chloro-4-fluorophenyl)pyrazol-3-yl]formamide.

Molecular Properties

Compound NameN-[4-chloro-1-(2-chloro-4-fluorophenyl)pyrazol-3-yl]formamide
PubChem CID174569313
Molecular FormulaC10H6Cl2FN3O
Molecular Weight274.08 g/mol
Exact Mass272.99
IUPAC NameN-[4-chloro-1-(2-chloro-4-fluorophenyl)pyrazol-3-yl]formamide
SMILESO=CNc1nn(-c2ccc(F)cc2Cl)cc1Cl
InChIInChI=1S/C10H6Cl2FN3O/c11-7-3-6(13)1-2-9(7)16-4-8(12)10(15-16)14-5-17/h1-5H,(H,14,15,17)
InChIKeyTXUWAWDCNXMDIZ-UHFFFAOYSA-N
XLogP2.89
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.08
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-Dichlorophenyl)-3-(1-methyl-3-pyrazolyl)urea
CID 970792
1-(2-Chlorophenyl)-1H-pyrazol-3-amine
CID 23464287
N-(3-Chloro-4-fluorophenyl)-N'-(1-methyl-1H-pyrazol-3-YL)urea
CID 970878
N-[2-(2,4-dichloro-3,5,6-trifluorophenyl)pyrazol-3-yl]acetamide
CID 14517407
N-[1-(2,4-dichloro-3,5,6-trifluorophenyl)pyrazol-3-yl]acetamide
CID 21616474
N-[4-chloro-1-(trifluoromethyl)pyrazol-5-yl]-N-(2,4-difluorophenyl)formamide
CID 57061043
N-[1-(4-chlorophenyl)-4-methylpyrazol-3-yl]-2,2,2-trifluoroacetamide
CID 57083067
N-[1-(3-chlorophenyl)pyrazol-3-yl]-2,2,2-trifluoroacetamide
CID 57308674
N-[1-(3,4-dichlorophenyl)pyrazol-3-yl]-2,2,2-trifluoroacetamide
CID 57310456
N-[1-(4-fluorophenyl)-4-methylpyrazol-3-yl]formamide
CID 57312696
1-(4-Chloro-2-fluoro-phenyl)-1H-pyrazol-3-ylamine
CID 58026102
1-(4-Chloro-3-fluorophenyl)pyrazol-3-amine
CID 79149233

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-1-(2-chloro-4-fluorophenyl)pyrazol-3-yl]formamide?
The IUPAC name of N-[4-chloro-1-(2-chloro-4-fluorophenyl)pyrazol-3-yl]formamide (CID 174569313) is N-[4-chloro-1-(2-chloro-4-fluorophenyl)pyrazol-3-yl]formamide.
What is the SMILES notation for N-[4-chloro-1-(2-chloro-4-fluorophenyl)pyrazol-3-yl]formamide?
The canonical SMILES for N-[4-chloro-1-(2-chloro-4-fluorophenyl)pyrazol-3-yl]formamide is O=CNc1nn(-c2ccc(F)cc2Cl)cc1Cl.
What is the InChIKey of N-[4-chloro-1-(2-chloro-4-fluorophenyl)pyrazol-3-yl]formamide?
The InChIKey is TXUWAWDCNXMDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2FN3O/c11-7-3-6(13)1-2-9(7)16-4-8(12)10(15-16)14-5-17/h1-5H,(H,14,15,17).
What are the key properties of N-[4-chloro-1-(2-chloro-4-fluorophenyl)pyrazol-3-yl]formamide?
N-[4-chloro-1-(2-chloro-4-fluorophenyl)pyrazol-3-yl]formamide has a molecular weight of 274.08 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-1-(2-chloro-4-fluorophenyl)pyrazol-3-yl]formamide is sourced from PubChem (CID 174569313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).