N,5-dimethyl-1-phenyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide

C14H14F3N3O — CID 78863932

IUPACN,5-dimethyl-1-phenyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)N(C)CC(F)(F)F)cnn1-c1ccccc1
InChIInChI=1S/C14H14F3N3O/c1-10-12(13(21)19(2)9-14(15,16)17)8-18-20(10)11-6-4-3-5-7-11/h3-8H,9H2,1-2H3
InChIKeyNWKMQQKZZUZXMJ-UHFFFAOYSA-N
MW297.28 g/mol
LogP2.82
Rot. Bonds3

About N,5-dimethyl-1-phenyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide

N,5-dimethyl-1-phenyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide (PubChem CID 78863932) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is N,5-dimethyl-1-phenyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN,5-dimethyl-1-phenyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
PubChem CID78863932
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC NameN,5-dimethyl-1-phenyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)N(C)CC(F)(F)F)cnn1-c1ccccc1
InChIInChI=1S/C14H14F3N3O/c1-10-12(13(21)19(2)9-14(15,16)17)8-18-20(10)11-6-4-3-5-7-11/h3-8H,9H2,1-2H3
InChIKeyNWKMQQKZZUZXMJ-UHFFFAOYSA-N
XLogP2.82
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(diethylamino)-2-oxoethyl]-N,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 39947866
N-(3-amino-2,2-dimethylpropyl)-1-(4-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide
CID 119653761
N-(cyclopropen-1-yl)-5-methyl-N-oxido-1-phenylpyrazole-4-carboxamide
CID 163629755
N-[2-(4-fluorophenoxy)ethyl]-N,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 34472485
(2S)-2-[methyl-(5-methyl-1-phenylpyrazole-4-carbonyl)amino]propanoic acid
CID 99849354
N-(3-amino-2,2-dimethylpropyl)-1-(4-bromophenyl)-N,5-dimethylpyrazole-4-carboxamide
CID 119654418
3-[ethyl-(5-methyl-1-phenylpyrazole-4-carbonyl)amino]propanoic acid
CID 119191202
(5-methyl-1-phenylpyrazol-4-yl)-phenylmethanone
CID 10706606
N-[(4-fluorophenyl)methyl]-N,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 30766739
N-cyclopentyl-N-ethyl-5-methyl-1-phenylpyrazole-4-carboxamide
CID 134060993
3-[[1-(3-bromophenyl)-5-methylpyrazole-4-carbonyl]-methylamino]propanoic acid
CID 119232427
N-[[4-(dimethylamino)phenyl]methyl]-N,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 30767127

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-1-phenyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The IUPAC name of N,5-dimethyl-1-phenyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide (CID 78863932) is N,5-dimethyl-1-phenyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N,5-dimethyl-1-phenyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The canonical SMILES for N,5-dimethyl-1-phenyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide is Cc1c(C(=O)N(C)CC(F)(F)F)cnn1-c1ccccc1.
What is the InChIKey of N,5-dimethyl-1-phenyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The InChIKey is NWKMQQKZZUZXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O/c1-10-12(13(21)19(2)9-14(15,16)17)8-18-20(10)11-6-4-3-5-7-11/h3-8H,9H2,1-2H3.
What are the key properties of N,5-dimethyl-1-phenyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
N,5-dimethyl-1-phenyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide has a molecular weight of 297.28 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-1-phenyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 78863932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).