1-tert-butyl-3-cyclopropyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-5-carboxamide

C14H16F3N5OS — CID 60507405

IUPAC1-tert-butyl-3-cyclopropyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-5-carboxamide
SMILESCC(C)(C)n1nc(C2CC2)cc1C(=O)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C14H16F3N5OS/c1-13(2,3)22-9(6-8(21-22)7-4-5-7)10(23)18-12-20-19-11(24-12)14(15,16)17/h6-7H,4-5H2,1-3H3,(H,18,20,23)
InChIKeyCGWKSQMKOYOMGE-UHFFFAOYSA-N
MW359.38 g/mol
LogP3.64
Rot. Bonds3

About 1-tert-butyl-3-cyclopropyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-5-carboxamide

1-tert-butyl-3-cyclopropyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-5-carboxamide (PubChem CID 60507405) has the molecular formula C14H16F3N5OS and a molecular weight of 359.38 g/mol. Its IUPAC name is 1-tert-butyl-3-cyclopropyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-3-cyclopropyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-5-carboxamide
PubChem CID60507405
Molecular FormulaC14H16F3N5OS
Molecular Weight359.38 g/mol
Exact Mass359.10
IUPAC Name1-tert-butyl-3-cyclopropyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-5-carboxamide
SMILESCC(C)(C)n1nc(C2CC2)cc1C(=O)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C14H16F3N5OS/c1-13(2,3)22-9(6-8(21-22)7-4-5-7)10(23)18-12-20-19-11(24-12)14(15,16)17/h6-7H,4-5H2,1-3H3,(H,18,20,23)
InChIKeyCGWKSQMKOYOMGE-UHFFFAOYSA-N
XLogP3.64
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-cyclopropyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-5-carboxamide?
The IUPAC name of 1-tert-butyl-3-cyclopropyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-5-carboxamide (CID 60507405) is 1-tert-butyl-3-cyclopropyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-5-carboxamide.
What is the SMILES notation for 1-tert-butyl-3-cyclopropyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-5-carboxamide?
The canonical SMILES for 1-tert-butyl-3-cyclopropyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-5-carboxamide is CC(C)(C)n1nc(C2CC2)cc1C(=O)Nc1nnc(C(F)(F)F)s1.
What is the InChIKey of 1-tert-butyl-3-cyclopropyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-5-carboxamide?
The InChIKey is CGWKSQMKOYOMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5OS/c1-13(2,3)22-9(6-8(21-22)7-4-5-7)10(23)18-12-20-19-11(24-12)14(15,16)17/h6-7H,4-5H2,1-3H3,(H,18,20,23).
What are the key properties of 1-tert-butyl-3-cyclopropyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-5-carboxamide?
1-tert-butyl-3-cyclopropyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-5-carboxamide has a molecular weight of 359.38 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-cyclopropyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-5-carboxamide is sourced from PubChem (CID 60507405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).