N-[(2-chlorophenyl)carbamoyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide

C13H11ClF2N4O2 — CID 141486754

IUPACN-[(2-chlorophenyl)carbamoyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC(=O)Nc2ccccc2Cl)c(C(F)F)n1
InChIInChI=1S/C13H11ClF2N4O2/c1-20-6-7(10(19-20)11(15)16)12(21)18-13(22)17-9-5-3-2-4-8(9)14/h2-6,11H,1H3,(H2,17,18,21,22)
InChIKeyUYNVETYNACGGNA-UHFFFAOYSA-N
MW328.71 g/mol
LogP2.97
Rot. Bonds3

About N-[(2-chlorophenyl)carbamoyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide

N-[(2-chlorophenyl)carbamoyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide (PubChem CID 141486754) has the molecular formula C13H11ClF2N4O2 and a molecular weight of 328.71 g/mol. Its IUPAC name is N-[(2-chlorophenyl)carbamoyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)carbamoyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
PubChem CID141486754
Molecular FormulaC13H11ClF2N4O2
Molecular Weight328.71 g/mol
Exact Mass328.05
IUPAC NameN-[(2-chlorophenyl)carbamoyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC(=O)Nc2ccccc2Cl)c(C(F)F)n1
InChIInChI=1S/C13H11ClF2N4O2/c1-20-6-7(10(19-20)11(15)16)12(21)18-13(22)17-9-5-3-2-4-8(9)14/h2-6,11H,1H3,(H2,17,18,21,22)
InChIKeyUYNVETYNACGGNA-UHFFFAOYSA-N
XLogP2.97
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.71
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(difluoromethyl)-1-methyl-N-[[2-(trifluoromethoxy)phenyl]carbamoyl]pyrazole-4-carboxamide
CID 141486765
N-(2-carbamoylphenyl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 174988541
3-(difluoromethyl)-N-[2-[2-(fluoromethyl)phenyl]phenyl]-1-methylpyrazole-4-carboxamide
CID 68910253
3-(difluoromethyl)-N-[2-(4-iodophenyl)phenyl]-1-methylpyrazole-4-carboxamide
CID 66920609
3-(difluoromethyl)-1-methyl-N-[2-(4,4,4-trifluoro-3-methylbutyl)phenyl]pyrazole-4-carboxamide
CID 57497963
3-(difluoromethyl)-1-methyl-N-[2-(1-propan-2-ylsulfanylethyl)phenyl]pyrazole-4-carboxamide
CID 59559816
N-(3-tert-butyl-2-fluorophenyl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 146322613
cyclopropane;N-(2-cyclopropylphenyl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide;ethane
CID 143209520
3-(difluoromethyl)-N-[2-(2,5-difluorophenyl)phenyl]-1-methylpyrazole-4-carboxamide
CID 57466155
N-[2-[(1R,2S)-2-cyclopropyl-2-methylcyclopropyl]phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 147266616
3-(difluoromethyl)-1-methyl-N-propan-2-ylpyrazole-4-carboxamide
CID 167378519
N-[2-(2-chloronaphthalen-1-yl)cyclopropyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 59161491

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)carbamoyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)carbamoyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide (CID 141486754) is N-[(2-chlorophenyl)carbamoyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)carbamoyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)carbamoyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)NC(=O)Nc2ccccc2Cl)c(C(F)F)n1.
What is the InChIKey of N-[(2-chlorophenyl)carbamoyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is UYNVETYNACGGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF2N4O2/c1-20-6-7(10(19-20)11(15)16)12(21)18-13(22)17-9-5-3-2-4-8(9)14/h2-6,11H,1H3,(H2,17,18,21,22).
What are the key properties of N-[(2-chlorophenyl)carbamoyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide?
N-[(2-chlorophenyl)carbamoyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 328.71 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)carbamoyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 141486754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).