N-ethyl-5-[2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazole-1-carboxamide

C15H12F3N5OS — CID 71235510

IUPACN-ethyl-5-[2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazole-1-carboxamide
SMILESCCNC(=O)n1nccc1-c1sc(-c2cccnc2)nc1C(F)(F)F
InChIInChI=1S/C15H12F3N5OS/c1-2-20-14(24)23-10(5-7-21-23)11-12(15(16,17)18)22-13(25-11)9-4-3-6-19-8-9/h3-8H,2H2,1H3,(H,20,24)
InChIKeyKXJDTOBDFGRPNH-UHFFFAOYSA-N
MW367.36 g/mol
LogP3.66
Rot. Bonds3

About N-ethyl-5-[2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazole-1-carboxamide

N-ethyl-5-[2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazole-1-carboxamide (PubChem CID 71235510) has the molecular formula C15H12F3N5OS and a molecular weight of 367.36 g/mol. Its IUPAC name is N-ethyl-5-[2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazole-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-[2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazole-1-carboxamide
PubChem CID71235510
Molecular FormulaC15H12F3N5OS
Molecular Weight367.36 g/mol
Exact Mass367.07
IUPAC NameN-ethyl-5-[2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazole-1-carboxamide
SMILESCCNC(=O)n1nccc1-c1sc(-c2cccnc2)nc1C(F)(F)F
InChIInChI=1S/C15H12F3N5OS/c1-2-20-14(24)23-10(5-7-21-23)11-12(15(16,17)18)22-13(25-11)9-4-3-6-19-8-9/h3-8H,2H2,1H3,(H,20,24)
InChIKeyKXJDTOBDFGRPNH-UHFFFAOYSA-N
XLogP3.66
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazole-1-carboxamide?
The IUPAC name of N-ethyl-5-[2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazole-1-carboxamide (CID 71235510) is N-ethyl-5-[2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazole-1-carboxamide.
What is the SMILES notation for N-ethyl-5-[2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazole-1-carboxamide?
The canonical SMILES for N-ethyl-5-[2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazole-1-carboxamide is CCNC(=O)n1nccc1-c1sc(-c2cccnc2)nc1C(F)(F)F.
What is the InChIKey of N-ethyl-5-[2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazole-1-carboxamide?
The InChIKey is KXJDTOBDFGRPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N5OS/c1-2-20-14(24)23-10(5-7-21-23)11-12(15(16,17)18)22-13(25-11)9-4-3-6-19-8-9/h3-8H,2H2,1H3,(H,20,24).
What are the key properties of N-ethyl-5-[2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazole-1-carboxamide?
N-ethyl-5-[2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazole-1-carboxamide has a molecular weight of 367.36 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazole-1-carboxamide is sourced from PubChem (CID 71235510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).