N-[(4-fluorophenyl)methyl]-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide

C14H13F4N3O — CID 126809877

IUPACN-[(4-fluorophenyl)methyl]-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
SMILESCn1ccc(C(=O)N(Cc2ccc(F)cc2)CC(F)(F)F)n1
InChIInChI=1S/C14H13F4N3O/c1-20-7-6-12(19-20)13(22)21(9-14(16,17)18)8-10-2-4-11(15)5-3-10/h2-7H,8-9H2,1H3
InChIKeyFNMUMLYWAADPRE-UHFFFAOYSA-N
MW315.27 g/mol
LogP2.76
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide

N-[(4-fluorophenyl)methyl]-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide (PubChem CID 126809877) has the molecular formula C14H13F4N3O and a molecular weight of 315.27 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
PubChem CID126809877
Molecular FormulaC14H13F4N3O
Molecular Weight315.27 g/mol
Exact Mass315.10
IUPAC NameN-[(4-fluorophenyl)methyl]-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
SMILESCn1ccc(C(=O)N(Cc2ccc(F)cc2)CC(F)(F)F)n1
InChIInChI=1S/C14H13F4N3O/c1-20-7-6-12(19-20)13(22)21(9-14(16,17)18)8-10-2-4-11(15)5-3-10/h2-7H,8-9H2,1H3
InChIKeyFNMUMLYWAADPRE-UHFFFAOYSA-N
XLogP2.76
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.27
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromoethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
CID 107492514
N-[(4-fluorophenyl)methyl]-2-(3-methylimidazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 126830055
N,N-bis(2-hydroxyethyl)-1-methylpyrazole-3-carboxamide
CID 103915328
N-(3-aminopropyl)-N-benzyl-1-methylpyrazole-3-carboxamide
CID 107365593
N-(2-hydroxy-2-methylpropyl)-N,1-dimethylpyrazole-3-carboxamide
CID 103726489
N-[[4-(dimethylamino)phenyl]methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 126800660
N-ethyl-3-(4-fluorophenyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 78858762
1-phenyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
CID 52638173
N-[2-(4-fluorophenyl)propyl]-1-methylpyrazole-3-carboxamide
CID 110279490
N-(2-bromoethyl)-N-(2-methoxyethyl)-1-methylpyrazole-3-carboxamide
CID 103122847
N-(2-chloroethyl)-5-fluoro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 107492296
2-[(1-methylpyrazole-3-carbonyl)-prop-2-ynylamino]acetic acid
CID 103116999

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide (CID 126809877) is N-[(4-fluorophenyl)methyl]-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide is Cn1ccc(C(=O)N(Cc2ccc(F)cc2)CC(F)(F)F)n1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide?
The InChIKey is FNMUMLYWAADPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F4N3O/c1-20-7-6-12(19-20)13(22)21(9-14(16,17)18)8-10-2-4-11(15)5-3-10/h2-7H,8-9H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide?
N-[(4-fluorophenyl)methyl]-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide has a molecular weight of 315.27 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 126809877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).