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

C19H19Cl2F3N4O2 — CID 3133906

IUPAC5-(3,4-dichlorophenyl)-N-(oxolan-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/C19H19Cl2F3N4O2/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/h3-4,6,8,11,14,16,26H,1-2,5,7,9H2,(H,25,29)
InChIKeyYRHTWDVJUSWUDU-UHFFFAOYSA-N
MW463.29 g/mol
LogP4.76
Rot. Bonds4

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

5-(3,4-dichlorophenyl)-N-(oxolan-2-ylmethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 3133906) has the molecular formula C19H19Cl2F3N4O2 and a molecular weight of 463.29 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)-N-(oxolan-2-ylmethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)-N-(oxolan-2-ylmethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID3133906
Molecular FormulaC19H19Cl2F3N4O2
Molecular Weight463.29 g/mol
Exact Mass462.08
IUPAC Name5-(3,4-dichlorophenyl)-N-(oxolan-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/C19H19Cl2F3N4O2/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/h3-4,6,8,11,14,16,26H,1-2,5,7,9H2,(H,25,29)
InChIKeyYRHTWDVJUSWUDU-UHFFFAOYSA-N
XLogP4.76
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.29
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3,4-dichlorophenyl)-N-(furan-2-ylmethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 652505
5-(4-fluorophenyl)-N-(tetrahydro-2-furanylmethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 655175
[5-(4-Chloro-phenyl)-7-trifluoromethyl-4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrimid
CID 3134058
5-(4-Bromo-phenyl)-7-trifluoromethyl-4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (tetrahydro-furan-2-ylmethyl)-amide
CID 647854
5-(4-methylphenyl)-N-(tetrahydrofuran-2-ylmethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 655927
3-Chloro-5-(4-fluoro-phenyl)-7-trifluoromethyl-4,5,6,7-tetrahydro-pyrazolo[1,5-a
CID 3133964
N-(sec-butyl)-3-chloro-5-(4-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3133969
3-chloro-N-(2-morpholin-4-ylethyl)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3237785
Morpholin-4-yl[5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanone
CID 3310354
N-benzyl-5-(4-chlorophenyl)-N-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3134052
5-(4-chlorophenyl)-N-(2-methoxyethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3845855
3-Chloro-5-(4-chlorophenyl)-N-propyl-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-A]pyrimidine-2-carboxamide
CID 2883863

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenyl)-N-(oxolan-2-ylmethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5-(3,4-dichlorophenyl)-N-(oxolan-2-ylmethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 3133906) is 5-(3,4-dichlorophenyl)-N-(oxolan-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-(oxolan-2-ylmethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5-(3,4-dichlorophenyl)-N-(oxolan-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-(oxolan-2-ylmethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is YRHTWDVJUSWUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2F3N4O2/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/h3-4,6,8,11,14,16,26H,1-2,5,7,9H2,(H,25,29).
What are the key properties of 5-(3,4-dichlorophenyl)-N-(oxolan-2-ylmethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
5-(3,4-dichlorophenyl)-N-(oxolan-2-ylmethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 463.29 g/mol, XLogP of 4.76, 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-(oxolan-2-ylmethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 3133906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).