5-amino-N-(2,2-difluoroethyl)-1-phenyl-N-propan-2-ylpyrazole-4-carboxamide

C15H18F2N4O — CID 166244329

IUPAC5-amino-N-(2,2-difluoroethyl)-1-phenyl-N-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)N(CC(F)F)C(=O)c1cnn(-c2ccccc2)c1N
InChIInChI=1S/C15H18F2N4O/c1-10(2)20(9-13(16)17)15(22)12-8-19-21(14(12)18)11-6-4-3-5-7-11/h3-8,10,13H,9,18H2,1-2H3
InChIKeyMKXCRNMBICUYTL-UHFFFAOYSA-N
MW308.33 g/mol
LogP2.57
Rot. Bonds5

About 5-amino-N-(2,2-difluoroethyl)-1-phenyl-N-propan-2-ylpyrazole-4-carboxamide

5-amino-N-(2,2-difluoroethyl)-1-phenyl-N-propan-2-ylpyrazole-4-carboxamide (PubChem CID 166244329) has the molecular formula C15H18F2N4O and a molecular weight of 308.33 g/mol. Its IUPAC name is 5-amino-N-(2,2-difluoroethyl)-1-phenyl-N-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2,2-difluoroethyl)-1-phenyl-N-propan-2-ylpyrazole-4-carboxamide
PubChem CID166244329
Molecular FormulaC15H18F2N4O
Molecular Weight308.33 g/mol
Exact Mass308.14
IUPAC Name5-amino-N-(2,2-difluoroethyl)-1-phenyl-N-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)N(CC(F)F)C(=O)c1cnn(-c2ccccc2)c1N
InChIInChI=1S/C15H18F2N4O/c1-10(2)20(9-13(16)17)15(22)12-8-19-21(14(12)18)11-6-4-3-5-7-11/h3-8,10,13H,9,18H2,1-2H3
InChIKeyMKXCRNMBICUYTL-UHFFFAOYSA-N
XLogP2.57
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-1-phenyl-N-propan-2-ylpyrazole-4-carboxamide
CID 14118804
1-(5-amino-1-phenylpyrazol-4-yl)propan-1-one
CID 15112560
5-amino-N-(2-amino-2-oxoethyl)-1-methyl-N-propan-2-ylpyrazole-4-carboxamide
CID 113288547
N,N-diethyl-1-phenyl-5-propan-2-ylpyrazole-4-carboxamide
CID 11403408
5-amino-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1-phenylpyrazole-4-carboxamide
CID 95807304
5-amino-1-(4-phenylphenyl)pyrazole-4-carboxamide
CID 97036087
5-amino-1-(4-propan-2-ylphenyl)pyrazole-4-carboxamide
CID 97036083
1-(5-fluoro-1-phenylpyrazol-4-yl)-2-methylbutan-1-one
CID 114244058
ethyl N-(5-amino-1-phenylpyrazole-4-carbonyl)ethanehydrazonate
CID 2763542
5-amino-N-[2-[(benzylamino)methyl]-3,3,3-trifluoro-2-hydroxypropyl]-1-phenylpyrazole-4-carboxamide;ethane
CID 91273770
5-amino-1-methyl-N-(2-methylpropyl)-N-pentan-3-ylpyrazole-4-carboxamide
CID 115330996
(2S)-2-[methyl-(5-methyl-1-phenylpyrazole-4-carbonyl)amino]propanoic acid
CID 99849354

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,2-difluoroethyl)-1-phenyl-N-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-(2,2-difluoroethyl)-1-phenyl-N-propan-2-ylpyrazole-4-carboxamide (CID 166244329) is 5-amino-N-(2,2-difluoroethyl)-1-phenyl-N-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(2,2-difluoroethyl)-1-phenyl-N-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(2,2-difluoroethyl)-1-phenyl-N-propan-2-ylpyrazole-4-carboxamide is CC(C)N(CC(F)F)C(=O)c1cnn(-c2ccccc2)c1N.
What is the InChIKey of 5-amino-N-(2,2-difluoroethyl)-1-phenyl-N-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is MKXCRNMBICUYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N4O/c1-10(2)20(9-13(16)17)15(22)12-8-19-21(14(12)18)11-6-4-3-5-7-11/h3-8,10,13H,9,18H2,1-2H3.
What are the key properties of 5-amino-N-(2,2-difluoroethyl)-1-phenyl-N-propan-2-ylpyrazole-4-carboxamide?
5-amino-N-(2,2-difluoroethyl)-1-phenyl-N-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 308.33 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2,2-difluoroethyl)-1-phenyl-N-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 166244329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).