5-(3,4-dichlorophenyl)-N-(furan-2-ylmethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide

C19H15Cl2F3N4O2 — CID 652505

IUPAC5-(3,4-dichlorophenyl)-N-(furan-2-ylmethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NCc1ccco1)c1cc2n(n1)C(C(F)(F)F)CC(c1ccc(Cl)c(Cl)c1)N2
InChIInChI=1S/C19H15Cl2F3N4O2/c20-12-4-3-10(6-13(12)21)14-7-16(19(22,23)24)28-17(26-14)8-15(27-28)18(29)25-9-11-2-1-5-30-11/h1-6,8,14,16,26H,7,9H2,(H,25,29)
InChIKeyGEHMBPUOYMNMCF-UHFFFAOYSA-N
MW459.26 g/mol
LogP5.37
Rot. Bonds4

About 5-(3,4-dichlorophenyl)-N-(furan-2-ylmethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide

5-(3,4-dichlorophenyl)-N-(furan-2-ylmethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 652505) has the molecular formula C19H15Cl2F3N4O2 and a molecular weight of 459.26 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)-N-(furan-2-ylmethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)-N-(furan-2-ylmethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID652505
Molecular FormulaC19H15Cl2F3N4O2
Molecular Weight459.26 g/mol
Exact Mass458.05
IUPAC Name5-(3,4-dichlorophenyl)-N-(furan-2-ylmethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NCc1ccco1)c1cc2n(n1)C(C(F)(F)F)CC(c1ccc(Cl)c(Cl)c1)N2
InChIInChI=1S/C19H15Cl2F3N4O2/c20-12-4-3-10(6-13(12)21)14-7-16(19(22,23)24)28-17(26-14)8-15(27-28)18(29)25-9-11-2-1-5-30-11/h1-6,8,14,16,26H,7,9H2,(H,25,29)
InChIKeyGEHMBPUOYMNMCF-UHFFFAOYSA-N
XLogP5.37
TPSA72.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.26
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-methylphenyl)-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4182109
3-chloro-N-[(4-chlorophenyl)methyl]-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1113773
5-p-Tolyl-7-trifluoromethyl-4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (furan-2-ylmethyl)-amide
CID 649030
5-Furan-2-yl-7-trifluoromethyl-4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid methyl-phenyl-amide
CID 654439
N-(3-chlorobenzyl)-5-(2-furyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2982445
5-(4-bromophenyl)-N-(furan-2-ylmethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 649389
2-{[5-(2-Furyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}-1,2,3,4-tetrahydroisoquinoline
CID 2945523
5-(3,4-dichlorophenyl)-N-(tetrahydrofuran-2-ylmethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3133906
3-chloro-N-(4-chlorophenyl)-5-(2-furyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3133915
1-{[5-(2-furyl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]1,3-diazaperhyd roin-2-yl]carbonyl}piperidine-4-carboxamide
CID 3148222
(3-Chloro-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl)(4-methylpiperidin-1-yl)methanone
CID 3779887
[5-(3,4-dichlorophenyl)-7-(trifluoromethyl)(8-hydropyrazolo[1,5-a]pyrimidin-2-yl)]-N-(2-furylmethyl)carboxamide
CID 1111318

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenyl)-N-(furan-2-ylmethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5-(3,4-dichlorophenyl)-N-(furan-2-ylmethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 652505) is 5-(3,4-dichlorophenyl)-N-(furan-2-ylmethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-(3,4-dichlorophenyl)-N-(furan-2-ylmethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5-(3,4-dichlorophenyl)-N-(furan-2-ylmethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide is O=C(NCc1ccco1)c1cc2n(n1)C(C(F)(F)F)CC(c1ccc(Cl)c(Cl)c1)N2.
What is the InChIKey of 5-(3,4-dichlorophenyl)-N-(furan-2-ylmethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is GEHMBPUOYMNMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2F3N4O2/c20-12-4-3-10(6-13(12)21)14-7-16(19(22,23)24)28-17(26-14)8-15(27-28)18(29)25-9-11-2-1-5-30-11/h1-6,8,14,16,26H,7,9H2,(H,25,29).
What are the key properties of 5-(3,4-dichlorophenyl)-N-(furan-2-ylmethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
5-(3,4-dichlorophenyl)-N-(furan-2-ylmethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 459.26 g/mol, XLogP of 5.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenyl)-N-(furan-2-ylmethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 652505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).