5-(4-chlorophenyl)-N-[3-(1-hydroxyethyl)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide

C22H20ClF3N4O2 — CID 2884129

IUPAC5-(4-chlorophenyl)-N-[3-(1-hydroxyethyl)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCC(O)c1cccc(NC(=O)c2cc3n(n2)C(C(F)(F)F)CC(c2ccc(Cl)cc2)N3)c1
InChIInChI=1S/C22H20ClF3N4O2/c1-12(31)14-3-2-4-16(9-14)27-21(32)18-11-20-28-17(13-5-7-15(23)8-6-13)10-19(22(24,25)26)30(20)29-18/h2-9,11-12,17,19,28,31H,10H2,1H3,(H,27,32)
InChIKeyVBVSMZMCPRYGGR-UHFFFAOYSA-N
MW464.88 g/mol
LogP5.50
Rot. Bonds4

About 5-(4-chlorophenyl)-N-[3-(1-hydroxyethyl)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide

5-(4-chlorophenyl)-N-[3-(1-hydroxyethyl)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 2884129) has the molecular formula C22H20ClF3N4O2 and a molecular weight of 464.88 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[3-(1-hydroxyethyl)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[3-(1-hydroxyethyl)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID2884129
Molecular FormulaC22H20ClF3N4O2
Molecular Weight464.88 g/mol
Exact Mass464.12
IUPAC Name5-(4-chlorophenyl)-N-[3-(1-hydroxyethyl)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCC(O)c1cccc(NC(=O)c2cc3n(n2)C(C(F)(F)F)CC(c2ccc(Cl)cc2)N3)c1
InChIInChI=1S/C22H20ClF3N4O2/c1-12(31)14-3-2-4-16(9-14)27-21(32)18-11-20-28-17(13-5-7-15(23)8-6-13)10-19(22(24,25)26)30(20)29-18/h2-9,11-12,17,19,28,31H,10H2,1H3,(H,27,32)
InChIKeyVBVSMZMCPRYGGR-UHFFFAOYSA-N
XLogP5.50
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.88
LogP ≤ 55.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-(4-chlorophenyl)-N-[3-(1-hydroxyethyl)phenyl]-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

6-[[1-(4-chlorophenyl)-3-hydroxypropan-2-yl]amino]-N-(2,5-dimethylpyrazol-3-yl)pyridazine-3-carboxamide
CID 71525354
N-[4-(1-hydroxyethyl)phenyl]-5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2884629
5-(4-chlorophenyl)-N-[3-(2-cyanoethyl)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3625075
[3-chloro-5-phenyl-7-(trifluoromethyl)(4H,5H,6H,7H-pyrazolo[1,5-a]1,3-diazaper hydroin-2-yl)]-N-(2-hydroxy-5-methylphenyl)carboxamide
CID 4170710
N-(5-Chloro-2-hydroxyphenyl)-5-(4-chlorophenyl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-A]pyrimidine-2-carboxamide
CID 4197978
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
N-(4-chlorobenzyl)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2883889
N-(4-chlorophenyl)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2883899
N-[3-(1-hydroxyethyl)phenyl]-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2883912
N-(3-chlorophenyl)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2883981
3-chloro-N-[3-(1-hydroxyethyl)phenyl]-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2884512

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[3-(1-hydroxyethyl)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-[3-(1-hydroxyethyl)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 2884129) is 5-(4-chlorophenyl)-N-[3-(1-hydroxyethyl)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[3-(1-hydroxyethyl)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-[3-(1-hydroxyethyl)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide is CC(O)c1cccc(NC(=O)c2cc3n(n2)C(C(F)(F)F)CC(c2ccc(Cl)cc2)N3)c1.
What is the InChIKey of 5-(4-chlorophenyl)-N-[3-(1-hydroxyethyl)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is VBVSMZMCPRYGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClF3N4O2/c1-12(31)14-3-2-4-16(9-14)27-21(32)18-11-20-28-17(13-5-7-15(23)8-6-13)10-19(22(24,25)26)30(20)29-18/h2-9,11-12,17,19,28,31H,10H2,1H3,(H,27,32).
What are the key properties of 5-(4-chlorophenyl)-N-[3-(1-hydroxyethyl)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
5-(4-chlorophenyl)-N-[3-(1-hydroxyethyl)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 464.88 g/mol, XLogP of 5.50, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[3-(1-hydroxyethyl)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 2884129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).