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

C11H9ClFN3O — CID 86232780

IUPACN-(2-chloro-4-fluorophenyl)-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(F)cc2Cl)n[nH]1
InChIInChI=1S/C11H9ClFN3O/c1-6-4-10(16-15-6)11(17)14-9-3-2-7(13)5-8(9)12/h2-5H,1H3,(H,14,17)(H,15,16)
InChIKeyPYJSMUJRPYJUIC-UHFFFAOYSA-N
MW253.66 g/mol
LogP2.76
Rot. Bonds2

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

N-(2-chloro-4-fluorophenyl)-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 86232780) has the molecular formula C11H9ClFN3O and a molecular weight of 253.66 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID86232780
Molecular FormulaC11H9ClFN3O
Molecular Weight253.66 g/mol
Exact Mass253.04
IUPAC NameN-(2-chloro-4-fluorophenyl)-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(F)cc2Cl)n[nH]1
InChIInChI=1S/C11H9ClFN3O/c1-6-4-10(16-15-6)11(17)14-9-3-2-7(13)5-8(9)12/h2-5H,1H3,(H,14,17)(H,15,16)
InChIKeyPYJSMUJRPYJUIC-UHFFFAOYSA-N
XLogP2.76
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.66
LogP ≤ 52.76
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
5-methyl-1-(2,4,6-trichlorophenyl)-1H-pyrazole-3-carboxamide
CID 2743116
N'5-(2,6-dichlorophenyl)-1-(tert-butyl)-3-methyl-1H-pyrazole-5-carbohydrazide
CID 2744584
N-(4-chlorophenyl)-3-methyl-1-phenyl-1H-pyrazole-5-carboxamide
CID 6625210
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
4,5-dichloro-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-3-carboxamide
CID 16659762
N-(2-chloro-4-fluorophenyl)-4-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 16659930
N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 46848506

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-5-methyl-1H-pyrazole-3-carboxamide (CID 86232780) is N-(2-chloro-4-fluorophenyl)-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-5-methyl-1H-pyrazole-3-carboxamide is Cc1cc(C(=O)Nc2ccc(F)cc2Cl)n[nH]1.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is PYJSMUJRPYJUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN3O/c1-6-4-10(16-15-6)11(17)14-9-3-2-7(13)5-8(9)12/h2-5H,1H3,(H,14,17)(H,15,16).
What are the key properties of N-(2-chloro-4-fluorophenyl)-5-methyl-1H-pyrazole-3-carboxamide?
N-(2-chloro-4-fluorophenyl)-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 253.66 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 86232780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).