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

C18H12Br2ClF3N4O2 — CID 1013626

IUPAC(5S,7R)-3-bromo-5-(5-bromofuran-2-yl)-N-(3-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1nn2c(c1Br)N[C@H](c1ccc(Br)o1)C[C@@H]2C(F)(F)F
InChIInChI=1S/C18H12Br2ClF3N4O2/c19-13-5-4-11(30-13)10-7-12(18(22,23)24)28-16(26-10)14(20)15(27-28)17(29)25-9-3-1-2-8(21)6-9/h1-6,10,12,26H,7H2,(H,25,29)/t10-,12+/m0/s1
InChIKeyBAMFPNVDVOIFKK-CMPLNLGQSA-N
MW568.58 g/mol
LogP6.57
Rot. Bonds3

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

(5S,7R)-3-bromo-5-(5-bromofuran-2-yl)-N-(3-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 1013626) has the molecular formula C18H12Br2ClF3N4O2 and a molecular weight of 568.58 g/mol. Its IUPAC name is (5S,7R)-3-bromo-5-(5-bromofuran-2-yl)-N-(3-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name(5S,7R)-3-bromo-5-(5-bromofuran-2-yl)-N-(3-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID1013626
Molecular FormulaC18H12Br2ClF3N4O2
Molecular Weight568.58 g/mol
Exact Mass565.90
IUPAC Name(5S,7R)-3-bromo-5-(5-bromofuran-2-yl)-N-(3-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1nn2c(c1Br)N[C@H](c1ccc(Br)o1)C[C@@H]2C(F)(F)F
InChIInChI=1S/C18H12Br2ClF3N4O2/c19-13-5-4-11(30-13)10-7-12(18(22,23)24)28-16(26-10)14(20)15(27-28)17(29)25-9-3-1-2-8(21)6-9/h1-6,10,12,26H,7H2,(H,25,29)/t10-,12+/m0/s1
InChIKeyBAMFPNVDVOIFKK-CMPLNLGQSA-N
XLogP6.57
TPSA72.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.58
LogP ≤ 56.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (5S,7R)-3-bromo-5-(5-bromofuran-2-yl)-N-(3-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5R,7S)-3-bromo-5-(5-bromofuran-2-yl)-N-(5-chloro-2-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1013561
3-bromo-5-(5-bromofuran-2-yl)-N-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3526479
3-bromo-5-(5-bromofuran-2-yl)-N-(2-methoxyethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 135456838
3-bromo-5-(5-bromofuran-2-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 4546660
(5R,7R)-3-bromo-5-(5-bromofuran-2-yl)-N-[(4-methoxyphenyl)methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 136799942
3-bromo-N-(3,4-dimethylphenyl)-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 4637427
3-bromo-N-(4-bromophenyl)-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3789212
(5R,7R)-5-(4-bromophenyl)-N-(3-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 994012
(5R,7S)-5-(4-bromophenyl)-N-(3-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 994014
3-chloro-N-(3-hydroxyphenyl)-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3133756
(5S,7R)-N-(3-chlorophenyl)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1012914
N-(3-chlorophenyl)-5-(4-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 4197987

Frequently Asked Questions

What is the IUPAC name of (5S,7R)-3-bromo-5-(5-bromofuran-2-yl)-N-(3-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of (5S,7R)-3-bromo-5-(5-bromofuran-2-yl)-N-(3-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 1013626) is (5S,7R)-3-bromo-5-(5-bromofuran-2-yl)-N-(3-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for (5S,7R)-3-bromo-5-(5-bromofuran-2-yl)-N-(3-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for (5S,7R)-3-bromo-5-(5-bromofuran-2-yl)-N-(3-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide is O=C(Nc1cccc(Cl)c1)c1nn2c(c1Br)N[C@H](c1ccc(Br)o1)C[C@@H]2C(F)(F)F.
What is the InChIKey of (5S,7R)-3-bromo-5-(5-bromofuran-2-yl)-N-(3-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is BAMFPNVDVOIFKK-CMPLNLGQSA-N. The full InChI is InChI=1S/C18H12Br2ClF3N4O2/c19-13-5-4-11(30-13)10-7-12(18(22,23)24)28-16(26-10)14(20)15(27-28)17(29)25-9-3-1-2-8(21)6-9/h1-6,10,12,26H,7H2,(H,25,29)/t10-,12+/m0/s1.
What are the key properties of (5S,7R)-3-bromo-5-(5-bromofuran-2-yl)-N-(3-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
(5S,7R)-3-bromo-5-(5-bromofuran-2-yl)-N-(3-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 568.58 g/mol, XLogP of 6.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7R)-3-bromo-5-(5-bromofuran-2-yl)-N-(3-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 1013626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).