1-methyl-N-[1-(2-phenyl-1,3-thiazol-5-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide

C17H15F3N4OS — CID 170310986

IUPAC1-methyl-N-[1-(2-phenyl-1,3-thiazol-5-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCC(NC(=O)c1cc(C(F)(F)F)nn1C)c1cnc(-c2ccccc2)s1
InChIInChI=1S/C17H15F3N4OS/c1-10(13-9-21-16(26-13)11-6-4-3-5-7-11)22-15(25)12-8-14(17(18,19)20)23-24(12)2/h3-10H,1-2H3,(H,22,25)
InChIKeyGQGRQNVCBIASMJ-UHFFFAOYSA-N
MW380.40 g/mol
LogP4.05
Rot. Bonds4

About 1-methyl-N-[1-(2-phenyl-1,3-thiazol-5-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide

1-methyl-N-[1-(2-phenyl-1,3-thiazol-5-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 170310986) has the molecular formula C17H15F3N4OS and a molecular weight of 380.40 g/mol. Its IUPAC name is 1-methyl-N-[1-(2-phenyl-1,3-thiazol-5-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[1-(2-phenyl-1,3-thiazol-5-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID170310986
Molecular FormulaC17H15F3N4OS
Molecular Weight380.40 g/mol
Exact Mass380.09
IUPAC Name1-methyl-N-[1-(2-phenyl-1,3-thiazol-5-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCC(NC(=O)c1cc(C(F)(F)F)nn1C)c1cnc(-c2ccccc2)s1
InChIInChI=1S/C17H15F3N4OS/c1-10(13-9-21-16(26-13)11-6-4-3-5-7-11)22-15(25)12-8-14(17(18,19)20)23-24(12)2/h3-10H,1-2H3,(H,22,25)
InChIKeyGQGRQNVCBIASMJ-UHFFFAOYSA-N
XLogP4.05
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-bromo-1,3-thiazol-5-yl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 169263010
N-[1-[3-[6-(hydroxymethyl)-3-pyridinyl]-1-methylpyrazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 169262871
N-[(1S)-1-[3-(benzylamino)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 166099640
1-methyl-N-(1-phenylpropyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19477518
1-methyl-N-[(1S)-1-[3-(2-methyl-4-pyridinyl)-1,2,4-thiadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 166760955
N-[1-[3-(cyclopentylamino)-1-methylpyrazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 169262909
N-[(1S)-1-[3-(3-cyanophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 167186039
1-methyl-N-(pyridin-2-ylmethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19578739
N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19477541
2,2,2-trifluoro-1-(2-phenyl-1,3-thiazol-5-yl)ethanol
CID 67402697
N-[(1S)-1-[3-(2-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 155271905
N,1-dimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 56888348

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-(2-phenyl-1,3-thiazol-5-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-[1-(2-phenyl-1,3-thiazol-5-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 170310986) is 1-methyl-N-[1-(2-phenyl-1,3-thiazol-5-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-[1-(2-phenyl-1,3-thiazol-5-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-[1-(2-phenyl-1,3-thiazol-5-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is CC(NC(=O)c1cc(C(F)(F)F)nn1C)c1cnc(-c2ccccc2)s1.
What is the InChIKey of 1-methyl-N-[1-(2-phenyl-1,3-thiazol-5-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is GQGRQNVCBIASMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4OS/c1-10(13-9-21-16(26-13)11-6-4-3-5-7-11)22-15(25)12-8-14(17(18,19)20)23-24(12)2/h3-10H,1-2H3,(H,22,25).
What are the key properties of 1-methyl-N-[1-(2-phenyl-1,3-thiazol-5-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
1-methyl-N-[1-(2-phenyl-1,3-thiazol-5-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 380.40 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-(2-phenyl-1,3-thiazol-5-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 170310986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).