N-(4-cyano-1-methylpyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide

C9H6F6N4O — CID 103309878

IUPACN-(4-cyano-1-methylpyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
SMILESCn1ncc(C#N)c1NC(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H6F6N4O/c1-19-6(4(2-16)3-17-19)18-7(20)5(8(10,11)12)9(13,14)15/h3,5H,1H3,(H,18,20)
InChIKeyFFCNLKYSXZJXCP-UHFFFAOYSA-N
MW300.16 g/mol
LogP1.97
Rot. Bonds2

About N-(4-cyano-1-methylpyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide

N-(4-cyano-1-methylpyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide (PubChem CID 103309878) has the molecular formula C9H6F6N4O and a molecular weight of 300.16 g/mol. Its IUPAC name is N-(4-cyano-1-methylpyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound NameN-(4-cyano-1-methylpyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
PubChem CID103309878
Molecular FormulaC9H6F6N4O
Molecular Weight300.16 g/mol
Exact Mass300.04
IUPAC NameN-(4-cyano-1-methylpyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
SMILESCn1ncc(C#N)c1NC(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H6F6N4O/c1-19-6(4(2-16)3-17-19)18-7(20)5(8(10,11)12)9(13,14)15/h3,5H,1H3,(H,18,20)
InChIKeyFFCNLKYSXZJXCP-UHFFFAOYSA-N
XLogP1.97
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,2-trichloro-N-(4-cyano-1-methylpyrazol-5-yl)acetamide
CID 108737045
1-tert-butyl-3-(4-cyano-1-methylpyrazol-5-yl)urea
CID 79504321
2-amino-N-(4-cyano-1-methylpyrazol-5-yl)acetamide
CID 110470006
N-(4-cyano-1-methylpyrazol-5-yl)-2-methoxy-2-phenylacetamide
CID 79504037
4-cyano-N-(4-cyano-1-methylpyrazol-5-yl)benzamide
CID 112723104
phenyl N-(4-cyano-1-methylpyrazol-5-yl)carbamate
CID 79503955
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-cyano-1-methylpyrazol-5-yl)propanamide
CID 19531741
N-(4-cyano-1-methylpyrazol-5-yl)-2-methoxy-2-methylbutanamide
CID 114105647
1-methyl-5-(1,1,1-trifluoropropan-2-yl)pyrazole-4-carbonitrile
CID 83381936
N-(4-cyano-1-methylpyrazol-5-yl)-3,4-dimethylbenzamide
CID 112723715
2-chloroethyl N-(4-cyano-1-methylpyrazol-5-yl)carbamate
CID 108737063
1-(4-cyano-1-methylpyrazol-5-yl)-3-(3-fluorophenyl)urea
CID 79503956

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-methylpyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The IUPAC name of N-(4-cyano-1-methylpyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide (CID 103309878) is N-(4-cyano-1-methylpyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide.
What is the SMILES notation for N-(4-cyano-1-methylpyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The canonical SMILES for N-(4-cyano-1-methylpyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide is Cn1ncc(C#N)c1NC(=O)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-(4-cyano-1-methylpyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The InChIKey is FFCNLKYSXZJXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F6N4O/c1-19-6(4(2-16)3-17-19)18-7(20)5(8(10,11)12)9(13,14)15/h3,5H,1H3,(H,18,20).
What are the key properties of N-(4-cyano-1-methylpyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
N-(4-cyano-1-methylpyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide has a molecular weight of 300.16 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-methylpyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 103309878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).