1-methyl-N-[(1S)-1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide

C14H14F3N7O2 — CID 162644858

IUPAC1-methyl-N-[(1S)-1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESC[C@H](NC(=O)c1cc(C(F)(F)F)nn1C)c1nc(-c2cnn(C)c2)no1
InChIInChI=1S/C14H14F3N7O2/c1-7(13-20-11(22-26-13)8-5-18-23(2)6-8)19-12(25)9-4-10(14(15,16)17)21-24(9)3/h4-7H,1-3H3,(H,19,25)/t7-/m0/s1
InChIKeyGIKNBUXSTGVFGU-ZETCQYMHSA-N
MW369.31 g/mol
LogP1.71
Rot. Bonds4

About 1-methyl-N-[(1S)-1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide

1-methyl-N-[(1S)-1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 162644858) has the molecular formula C14H14F3N7O2 and a molecular weight of 369.31 g/mol. Its IUPAC name is 1-methyl-N-[(1S)-1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(1S)-1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID162644858
Molecular FormulaC14H14F3N7O2
Molecular Weight369.31 g/mol
Exact Mass369.12
IUPAC Name1-methyl-N-[(1S)-1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESC[C@H](NC(=O)c1cc(C(F)(F)F)nn1C)c1nc(-c2cnn(C)c2)no1
InChIInChI=1S/C14H14F3N7O2/c1-7(13-20-11(22-26-13)8-5-18-23(2)6-8)19-12(25)9-4-10(14(15,16)17)21-24(9)3/h4-7H,1-3H3,(H,19,25)/t7-/m0/s1
InChIKeyGIKNBUXSTGVFGU-ZETCQYMHSA-N
XLogP1.71
TPSA103.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.31
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-methyl-N-[(1S)-1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1S)-1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-[(1S)-1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 162644858) is 1-methyl-N-[(1S)-1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-[(1S)-1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-[(1S)-1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is C[C@H](NC(=O)c1cc(C(F)(F)F)nn1C)c1nc(-c2cnn(C)c2)no1.
What is the InChIKey of 1-methyl-N-[(1S)-1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is GIKNBUXSTGVFGU-ZETCQYMHSA-N. The full InChI is InChI=1S/C14H14F3N7O2/c1-7(13-20-11(22-26-13)8-5-18-23(2)6-8)19-12(25)9-4-10(14(15,16)17)21-24(9)3/h4-7H,1-3H3,(H,19,25)/t7-/m0/s1.
What are the key properties of 1-methyl-N-[(1S)-1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
1-methyl-N-[(1S)-1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 369.31 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1S)-1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 162644858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).