5-methyl-N-[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1H-pyrazole-3-carboxamide

C12H13F3N4OS — CID 95906724

IUPAC5-methyl-N-[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1H-pyrazole-3-carboxamide
SMILESCC[C@H](NC(=O)c1cc(C)[nH]n1)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C12H13F3N4OS/c1-3-7(11-17-9(5-21-11)12(13,14)15)16-10(20)8-4-6(2)18-19-8/h4-5,7H,3H2,1-2H3,(H,16,20)(H,18,19)/t7-/m0/s1
InChIKeyNUUXDAXDBJPRPB-ZETCQYMHSA-N
MW318.32 g/mol
LogP3.07
Rot. Bonds4

About 5-methyl-N-[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1H-pyrazole-3-carboxamide

5-methyl-N-[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1H-pyrazole-3-carboxamide (PubChem CID 95906724) has the molecular formula C12H13F3N4OS and a molecular weight of 318.32 g/mol. Its IUPAC name is 5-methyl-N-[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1H-pyrazole-3-carboxamide
PubChem CID95906724
Molecular FormulaC12H13F3N4OS
Molecular Weight318.32 g/mol
Exact Mass318.08
IUPAC Name5-methyl-N-[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1H-pyrazole-3-carboxamide
SMILESCC[C@H](NC(=O)c1cc(C)[nH]n1)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C12H13F3N4OS/c1-3-7(11-17-9(5-21-11)12(13,14)15)16-10(20)8-4-6(2)18-19-8/h4-5,7H,3H2,1-2H3,(H,16,20)(H,18,19)/t7-/m0/s1
InChIKeyNUUXDAXDBJPRPB-ZETCQYMHSA-N
XLogP3.07
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1H-pyrazole-3-carboxamide (CID 95906724) is 5-methyl-N-[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1H-pyrazole-3-carboxamide is CC[C@H](NC(=O)c1cc(C)[nH]n1)c1nc(C(F)(F)F)cs1.
What is the InChIKey of 5-methyl-N-[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1H-pyrazole-3-carboxamide?
The InChIKey is NUUXDAXDBJPRPB-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H13F3N4OS/c1-3-7(11-17-9(5-21-11)12(13,14)15)16-10(20)8-4-6(2)18-19-8/h4-5,7H,3H2,1-2H3,(H,16,20)(H,18,19)/t7-/m0/s1.
What are the key properties of 5-methyl-N-[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1H-pyrazole-3-carboxamide?
5-methyl-N-[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1H-pyrazole-3-carboxamide has a molecular weight of 318.32 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 95906724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).