N-butan-2-yl-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C16H19F3N4OS — CID 3133829

IUPACN-butan-2-yl-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCC(C)NC(=O)c1cnn2c1NC(c1cccs1)CC2C(F)(F)F
InChIInChI=1S/C16H19F3N4OS/c1-3-9(2)21-15(24)10-8-20-23-13(16(17,18)19)7-11(22-14(10)23)12-5-4-6-25-12/h4-6,8-9,11,13,22H,3,7H2,1-2H3,(H,21,24)
InChIKeyUHBSRQUXZFSYLJ-UHFFFAOYSA-N
MW372.42 g/mol
LogP4.13
Rot. Bonds4

About N-butan-2-yl-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

N-butan-2-yl-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 3133829) has the molecular formula C16H19F3N4OS and a molecular weight of 372.42 g/mol. Its IUPAC name is N-butan-2-yl-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID3133829
Molecular FormulaC16H19F3N4OS
Molecular Weight372.42 g/mol
Exact Mass372.12
IUPAC NameN-butan-2-yl-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCC(C)NC(=O)c1cnn2c1NC(c1cccs1)CC2C(F)(F)F
InChIInChI=1S/C16H19F3N4OS/c1-3-9(2)21-15(24)10-8-20-23-13(16(17,18)19)7-11(22-14(10)23)12-5-4-6-25-12/h4-6,8-9,11,13,22H,3,7H2,1-2H3,(H,21,24)
InChIKeyUHBSRQUXZFSYLJ-UHFFFAOYSA-N
XLogP4.13
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-butan-2-yl-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 3133829) is N-butan-2-yl-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-butan-2-yl-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is CCC(C)NC(=O)c1cnn2c1NC(c1cccs1)CC2C(F)(F)F.
What is the InChIKey of N-butan-2-yl-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is UHBSRQUXZFSYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4OS/c1-3-9(2)21-15(24)10-8-20-23-13(16(17,18)19)7-11(22-14(10)23)12-5-4-6-25-12/h4-6,8-9,11,13,22H,3,7H2,1-2H3,(H,21,24).
What are the key properties of N-butan-2-yl-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-butan-2-yl-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 372.42 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 3133829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).