(5R,7S)-5-cyclopropyl-N-(1,3-thiazol-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide

C14H14F3N5OS — CID 1429995

IUPAC(5R,7S)-5-cyclopropyl-N-(1,3-thiazol-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(Nc1nccs1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](C1CC1)N2
InChIInChI=1S/C14H14F3N5OS/c15-14(16,17)10-5-8(7-1-2-7)19-11-6-9(21-22(10)11)12(23)20-13-18-3-4-24-13/h3-4,6-8,10,19H,1-2,5H2,(H,18,20,23)/t8-,10+/m1/s1
InChIKeyXTLZDCIWPOHRKK-SCZZXKLOSA-N
MW357.36 g/mol
LogP3.29
Rot. Bonds3

About (5R,7S)-5-cyclopropyl-N-(1,3-thiazol-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide

(5R,7S)-5-cyclopropyl-N-(1,3-thiazol-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 1429995) has the molecular formula C14H14F3N5OS and a molecular weight of 357.36 g/mol. Its IUPAC name is (5R,7S)-5-cyclopropyl-N-(1,3-thiazol-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name(5R,7S)-5-cyclopropyl-N-(1,3-thiazol-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID1429995
Molecular FormulaC14H14F3N5OS
Molecular Weight357.36 g/mol
Exact Mass357.09
IUPAC Name(5R,7S)-5-cyclopropyl-N-(1,3-thiazol-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(Nc1nccs1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](C1CC1)N2
InChIInChI=1S/C14H14F3N5OS/c15-14(16,17)10-5-8(7-1-2-7)19-11-6-9(21-22(10)11)12(23)20-13-18-3-4-24-13/h3-4,6-8,10,19H,1-2,5H2,(H,18,20,23)/t8-,10+/m1/s1
InChIKeyXTLZDCIWPOHRKK-SCZZXKLOSA-N
XLogP3.29
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5R,7S)-5-cyclopropyl-N-(1,3-thiazol-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of (5R,7S)-5-cyclopropyl-N-(1,3-thiazol-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 1429995) is (5R,7S)-5-cyclopropyl-N-(1,3-thiazol-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for (5R,7S)-5-cyclopropyl-N-(1,3-thiazol-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for (5R,7S)-5-cyclopropyl-N-(1,3-thiazol-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide is O=C(Nc1nccs1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](C1CC1)N2.
What is the InChIKey of (5R,7S)-5-cyclopropyl-N-(1,3-thiazol-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is XTLZDCIWPOHRKK-SCZZXKLOSA-N. The full InChI is InChI=1S/C14H14F3N5OS/c15-14(16,17)10-5-8(7-1-2-7)19-11-6-9(21-22(10)11)12(23)20-13-18-3-4-24-13/h3-4,6-8,10,19H,1-2,5H2,(H,18,20,23)/t8-,10+/m1/s1.
What are the key properties of (5R,7S)-5-cyclopropyl-N-(1,3-thiazol-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
(5R,7S)-5-cyclopropyl-N-(1,3-thiazol-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 357.36 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7S)-5-cyclopropyl-N-(1,3-thiazol-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 1429995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).