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

C17H18BrF3N4O — CID 2884096

IUPAC5-(4-bromophenyl)-N-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C)NC(=O)c1cnn2c1NC(c1ccc(Br)cc1)CC2C(F)(F)F
InChIInChI=1S/C17H18BrF3N4O/c1-9(2)23-16(26)12-8-22-25-14(17(19,20)21)7-13(24-15(12)25)10-3-5-11(18)6-4-10/h3-6,8-9,13-14,24H,7H2,1-2H3,(H,23,26)
InChIKeyGJNKCVILJLUVAW-UHFFFAOYSA-N
MW431.26 g/mol
LogP4.44
Rot. Bonds3

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

5-(4-bromophenyl)-N-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 2884096) has the molecular formula C17H18BrF3N4O and a molecular weight of 431.26 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-(4-bromophenyl)-N-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID2884096
Molecular FormulaC17H18BrF3N4O
Molecular Weight431.26 g/mol
Exact Mass430.06
IUPAC Name5-(4-bromophenyl)-N-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C)NC(=O)c1cnn2c1NC(c1ccc(Br)cc1)CC2C(F)(F)F
InChIInChI=1S/C17H18BrF3N4O/c1-9(2)23-16(26)12-8-22-25-14(17(19,20)21)7-13(24-15(12)25)10-3-5-11(18)6-4-10/h3-6,8-9,13-14,24H,7H2,1-2H3,(H,23,26)
InChIKeyGJNKCVILJLUVAW-UHFFFAOYSA-N
XLogP4.44
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.26
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-N-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-(4-bromophenyl)-N-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 2884096) is 5-(4-bromophenyl)-N-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-(4-bromophenyl)-N-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-(4-bromophenyl)-N-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(C)NC(=O)c1cnn2c1NC(c1ccc(Br)cc1)CC2C(F)(F)F.
What is the InChIKey of 5-(4-bromophenyl)-N-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is GJNKCVILJLUVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrF3N4O/c1-9(2)23-16(26)12-8-22-25-14(17(19,20)21)7-13(24-15(12)25)10-3-5-11(18)6-4-10/h3-6,8-9,13-14,24H,7H2,1-2H3,(H,23,26).
What are the key properties of 5-(4-bromophenyl)-N-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-(4-bromophenyl)-N-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 431.26 g/mol, XLogP of 4.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-N-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 2884096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).