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

C19H20BrF3N4O — CID 3133879

IUPAC5-(4-bromophenyl)-N-cyclopentyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NC1CCCC1)c1cc2n(n1)C(C(F)(F)F)CC(c1ccc(Br)cc1)N2
InChIInChI=1S/C19H20BrF3N4O/c20-12-7-5-11(6-8-12)14-9-16(19(21,22)23)27-17(25-14)10-15(26-27)18(28)24-13-3-1-2-4-13/h5-8,10,13-14,16,25H,1-4,9H2,(H,24,28)
InChIKeyWOIVCGQJNUPPGV-UHFFFAOYSA-N
MW457.29 g/mol
LogP4.98
Rot. Bonds3

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

5-(4-bromophenyl)-N-cyclopentyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 3133879) has the molecular formula C19H20BrF3N4O and a molecular weight of 457.29 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N-cyclopentyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-(4-bromophenyl)-N-cyclopentyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID3133879
Molecular FormulaC19H20BrF3N4O
Molecular Weight457.29 g/mol
Exact Mass456.08
IUPAC Name5-(4-bromophenyl)-N-cyclopentyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NC1CCCC1)c1cc2n(n1)C(C(F)(F)F)CC(c1ccc(Br)cc1)N2
InChIInChI=1S/C19H20BrF3N4O/c20-12-7-5-11(6-8-12)14-9-16(19(21,22)23)27-17(25-14)10-15(26-27)18(28)24-13-3-1-2-4-13/h5-8,10,13-14,16,25H,1-4,9H2,(H,24,28)
InChIKeyWOIVCGQJNUPPGV-UHFFFAOYSA-N
XLogP4.98
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.29
LogP ≤ 54.98
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-cyclopentyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5-(4-bromophenyl)-N-cyclopentyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 3133879) is 5-(4-bromophenyl)-N-cyclopentyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-(4-bromophenyl)-N-cyclopentyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5-(4-bromophenyl)-N-cyclopentyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide is O=C(NC1CCCC1)c1cc2n(n1)C(C(F)(F)F)CC(c1ccc(Br)cc1)N2.
What is the InChIKey of 5-(4-bromophenyl)-N-cyclopentyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is WOIVCGQJNUPPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrF3N4O/c20-12-7-5-11(6-8-12)14-9-16(19(21,22)23)27-17(25-14)10-15(26-27)18(28)24-13-3-1-2-4-13/h5-8,10,13-14,16,25H,1-4,9H2,(H,24,28).
What are the key properties of 5-(4-bromophenyl)-N-cyclopentyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
5-(4-bromophenyl)-N-cyclopentyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 457.29 g/mol, XLogP of 4.98, 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-cyclopentyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 3133879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).