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

C11H9ClFN3O — CID 1236002

IUPACN-(3-chloro-4-fluorophenyl)-1-methylpyrazole-4-carboxamide
SMILESCN1C=C(C=N1)C(=O)NC2=CC(=C(C=C2)F)Cl
InChIInChI=1S/C11H9ClFN3O/c1-16-6-7(5-14-16)11(17)15-8-2-3-10(13)9(12)4-8/h2-6H,1H3,(H,15,17)
InChIKeyVQAHKSDVLUMPQC-UHFFFAOYSA-N
MW253.66 g/mol
LogP1.80
Rot. Bonds2

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

N-(3-chloro-4-fluorophenyl)-1-methyl-1H-pyrazole-4-carboxamide (PubChem CID 1236002) has the molecular formula C11H9ClFN3O and a molecular weight of 253.66 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-1-methyl-1H-pyrazole-4-carboxamide
PubChem CID1236002
Molecular FormulaC11H9ClFN3O
Molecular Weight253.66 g/mol
Exact Mass253.04
IUPAC NameN-(3-chloro-4-fluorophenyl)-1-methylpyrazole-4-carboxamide
SMILESCN1C=C(C=N1)C(=O)NC2=CC(=C(C=C2)F)Cl
InChIInChI=1S/C11H9ClFN3O/c1-16-6-7(5-14-16)11(17)15-8-2-3-10(13)9(12)4-8/h2-6H,1H3,(H,15,17)
InChIKeyVQAHKSDVLUMPQC-UHFFFAOYSA-N
XLogP1.80
TPSA46.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity292

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.66
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dichlorophenyl)-1-methyl-1H-pyrazole-4-carboxamide
CID 1225407
N-(4-chlorophenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 1490704
N-(3-fluorophenyl)-1-methyl-1H-pyrazole-4-carboxamide
CID 831887
N-(3-chlorophenyl)-1-ethyl-5-methyl-4-pyrazolecarboxamide
CID 832064
N-(3-chlorophenyl)-1-ethyl-1H-pyrazole-3-carboxamide
CID 891989
N-(2-chlorobenzyl)-1-ethyl-1H-pyrazole-4-carboxamide
CID 1225824
N-(2,4-dichlorophenyl)-1-ethyl-1H-pyrazole-4-carboxamide
CID 832071
1-ethyl-N-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 841336
1-(4-chlorophenyl)-1H-pyrazole-4-carbaldehyde
CID 6483886
5-chloro-N-(4-fluorophenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 1476992
N-(3-chloro-4-fluorophenyl)-3-(dimethylaminomethylideneamino)-1-methylpyrazole-4-carboxamide
CID 2799644
N-[4-(diethylamino)phenyl]-1-ethyl-1H-pyrazole-4-carboxamide
CID 3367465

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-1-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-1-methyl-1H-pyrazole-4-carboxamide (CID 1236002) is N-(3-chloro-4-fluorophenyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-1-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-1-methyl-1H-pyrazole-4-carboxamide is CN1C=C(C=N1)C(=O)NC2=CC(=C(C=C2)F)Cl.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-1-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is VQAHKSDVLUMPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN3O/c1-16-6-7(5-14-16)11(17)15-8-2-3-10(13)9(12)4-8/h2-6H,1H3,(H,15,17).
What are the key properties of N-(3-chloro-4-fluorophenyl)-1-methyl-1H-pyrazole-4-carboxamide?
N-(3-chloro-4-fluorophenyl)-1-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 253.66 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-1-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 1236002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).