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

C12H11ClF2N6O — CID 19517631

IUPAC2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(4-cyano-1-methylpyrazol-5-yl)acetamide
SMILESCc1c(Cl)c(C(F)F)nn1CC(=O)Nc1c(C#N)cnn1C
InChIInChI=1S/C12H11ClF2N6O/c1-6-9(13)10(11(14)15)19-21(6)5-8(22)18-12-7(3-16)4-17-20(12)2/h4,11H,5H2,1-2H3,(H,18,22)
InChIKeyLHCRELPFUKJREY-UHFFFAOYSA-N
MW328.71 g/mol
LogP2.03
Rot. Bonds4

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

2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(4-cyano-1-methylpyrazol-5-yl)acetamide (PubChem CID 19517631) has the molecular formula C12H11ClF2N6O and a molecular weight of 328.71 g/mol. Its IUPAC name is 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(4-cyano-1-methylpyrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(4-cyano-1-methylpyrazol-5-yl)acetamide
PubChem CID19517631
Molecular FormulaC12H11ClF2N6O
Molecular Weight328.71 g/mol
Exact Mass328.07
IUPAC Name2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(4-cyano-1-methylpyrazol-5-yl)acetamide
SMILESCc1c(Cl)c(C(F)F)nn1CC(=O)Nc1c(C#N)cnn1C
InChIInChI=1S/C12H11ClF2N6O/c1-6-9(13)10(11(14)15)19-21(6)5-8(22)18-12-7(3-16)4-17-20(12)2/h4,11H,5H2,1-2H3,(H,18,22)
InChIKeyLHCRELPFUKJREY-UHFFFAOYSA-N
XLogP2.03
TPSA88.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.71
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(2-cyanophenyl)acetamide
CID 19517544
4-[[2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-N-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrazole-5-carboxamide
CID 19517651
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-cyano-1-phenylpyrazol-5-yl)acetamide
CID 19523494
N-(4-cyano-1-methylpyrazol-5-yl)-2-(3-methyl-5-nitropyrazol-1-yl)acetamide
CID 19530683
N-(4-cyano-1-methylpyrazol-5-yl)-3-(4-iodo-5-methylpyrazol-1-yl)propanamide
CID 19552207
2-amino-N-(4-cyano-1-methylpyrazol-5-yl)acetamide
CID 110470006
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-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 19582300
N-(4-cyano-1-methylpyrazol-5-yl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 19557634
N-[3-[[2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]phenyl]-1-methylpyrazole-3-carboxamide
CID 19517621
N-(4-cyano-1-phenylpyrazol-5-yl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide
CID 19519557

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(4-cyano-1-methylpyrazol-5-yl)acetamide?
The IUPAC name of 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(4-cyano-1-methylpyrazol-5-yl)acetamide (CID 19517631) is 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(4-cyano-1-methylpyrazol-5-yl)acetamide.
What is the SMILES notation for 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(4-cyano-1-methylpyrazol-5-yl)acetamide?
The canonical SMILES for 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(4-cyano-1-methylpyrazol-5-yl)acetamide is Cc1c(Cl)c(C(F)F)nn1CC(=O)Nc1c(C#N)cnn1C.
What is the InChIKey of 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(4-cyano-1-methylpyrazol-5-yl)acetamide?
The InChIKey is LHCRELPFUKJREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClF2N6O/c1-6-9(13)10(11(14)15)19-21(6)5-8(22)18-12-7(3-16)4-17-20(12)2/h4,11H,5H2,1-2H3,(H,18,22).
What are the key properties of 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(4-cyano-1-methylpyrazol-5-yl)acetamide?
2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(4-cyano-1-methylpyrazol-5-yl)acetamide has a molecular weight of 328.71 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(4-cyano-1-methylpyrazol-5-yl)acetamide is sourced from PubChem (CID 19517631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).