2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(2-cyanophenyl)acetamide

C14H11ClF2N4O — CID 19517544

IUPAC2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(2-cyanophenyl)acetamide
SMILESCc1c(Cl)c(C(F)F)nn1CC(=O)Nc1ccccc1C#N
InChIInChI=1S/C14H11ClF2N4O/c1-8-12(15)13(14(16)17)20-21(8)7-11(22)19-10-5-3-2-4-9(10)6-18/h2-5,14H,7H2,1H3,(H,19,22)
InChIKeyGDYWNYWAWKEHKD-UHFFFAOYSA-N
MW324.72 g/mol
LogP3.29
Rot. Bonds4

About 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(2-cyanophenyl)acetamide

2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(2-cyanophenyl)acetamide (PubChem CID 19517544) has the molecular formula C14H11ClF2N4O and a molecular weight of 324.72 g/mol. Its IUPAC name is 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(2-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(2-cyanophenyl)acetamide
PubChem CID19517544
Molecular FormulaC14H11ClF2N4O
Molecular Weight324.72 g/mol
Exact Mass324.06
IUPAC Name2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(2-cyanophenyl)acetamide
SMILESCc1c(Cl)c(C(F)F)nn1CC(=O)Nc1ccccc1C#N
InChIInChI=1S/C14H11ClF2N4O/c1-8-12(15)13(14(16)17)20-21(8)7-11(22)19-10-5-3-2-4-9(10)6-18/h2-5,14H,7H2,1H3,(H,19,22)
InChIKeyGDYWNYWAWKEHKD-UHFFFAOYSA-N
XLogP3.29
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.72
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(4-cyano-1-methylpyrazol-5-yl)acetamide
CID 19517631
2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(5-chloro-2-methylphenyl)acetamide
CID 19517380
2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(2-fluoro-5-methylphenyl)acetamide
CID 19517466
2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1-phenylethyl)acetamide
CID 19517437
2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]acetamide
CID 19517389
N-(2-cyanophenyl)-2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19524355
5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-(2-cyanophenyl)furan-2-carboxamide
CID 19413858
N-(3-chloro-2-methylphenyl)-2-[3-(difluoromethyl)-5-methyl-4-nitropyrazol-1-yl]acetamide
CID 19528963
2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]acetamide
CID 19517551
N-[3-[[2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]phenyl]-1-methylpyrazole-3-carboxamide
CID 19517621
N-(2-cyanophenyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 110695411
4-[[2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19517614

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(2-cyanophenyl)acetamide?
The IUPAC name of 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(2-cyanophenyl)acetamide (CID 19517544) is 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(2-cyanophenyl)acetamide.
What is the SMILES notation for 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(2-cyanophenyl)acetamide?
The canonical SMILES for 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(2-cyanophenyl)acetamide is Cc1c(Cl)c(C(F)F)nn1CC(=O)Nc1ccccc1C#N.
What is the InChIKey of 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(2-cyanophenyl)acetamide?
The InChIKey is GDYWNYWAWKEHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2N4O/c1-8-12(15)13(14(16)17)20-21(8)7-11(22)19-10-5-3-2-4-9(10)6-18/h2-5,14H,7H2,1H3,(H,19,22).
What are the key properties of 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(2-cyanophenyl)acetamide?
2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(2-cyanophenyl)acetamide has a molecular weight of 324.72 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(2-cyanophenyl)acetamide is sourced from PubChem (CID 19517544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).