7-(3,4-dichlorophenyl)-5-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide

C25H21Cl2F3N4O — CID 135843733

IUPAC7-(3,4-dichlorophenyl)-5-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)NC2CCCc3ccccc32)C(c2ccc(Cl)c(Cl)c2)n2nc(C(F)(F)F)cc2N1
InChIInChI=1S/C25H21Cl2F3N4O/c1-13-22(24(35)32-19-8-4-6-14-5-2-3-7-16(14)19)23(15-9-10-17(26)18(27)11-15)34-21(31-13)12-20(33-34)25(28,29)30/h2-3,5,7,9-12,19,23,31H,4,6,8H2,1H3,(H,32,35)
InChIKeyPVUOBQQTLRUBKF-UHFFFAOYSA-N
MW521.37 g/mol
LogP6.69
Rot. Bonds3

About 7-(3,4-dichlorophenyl)-5-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide

7-(3,4-dichlorophenyl)-5-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135843733) has the molecular formula C25H21Cl2F3N4O and a molecular weight of 521.37 g/mol. Its IUPAC name is 7-(3,4-dichlorophenyl)-5-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-(3,4-dichlorophenyl)-5-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID135843733
Molecular FormulaC25H21Cl2F3N4O
Molecular Weight521.37 g/mol
Exact Mass520.10
IUPAC Name7-(3,4-dichlorophenyl)-5-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)NC2CCCc3ccccc32)C(c2ccc(Cl)c(Cl)c2)n2nc(C(F)(F)F)cc2N1
InChIInChI=1S/C25H21Cl2F3N4O/c1-13-22(24(35)32-19-8-4-6-14-5-2-3-7-16(14)19)23(15-9-10-17(26)18(27)11-15)34-21(31-13)12-20(33-34)25(28,29)30/h2-3,5,7,9-12,19,23,31H,4,6,8H2,1H3,(H,32,35)
InChIKeyPVUOBQQTLRUBKF-UHFFFAOYSA-N
XLogP6.69
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.37
LogP ≤ 56.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-(3,4-dichlorophenyl)-5-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide with MolForge

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Related Compounds

1-(2-chlorophenyl)-N-(2,3-dihydro-1H-inden-1-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 57458606
(2R)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 51391479
2,5-dichloro-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2124760
2,3,4,5,6-pentafluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 71474180
5-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-3-carboxamide
CID 71243890
5-amino-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 62304912
1,3,5-trimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-4-carboxamide
CID 45148404
4-chloro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrazole-5-carboxamide
CID 45153833
2-chloro-4-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 42989247
3,5-dichloro-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 7428902
3,5-dimethoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 837268
2,5-dimethyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 7919785

Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dichlorophenyl)-5-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-(3,4-dichlorophenyl)-5-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 135843733) is 7-(3,4-dichlorophenyl)-5-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-(3,4-dichlorophenyl)-5-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-(3,4-dichlorophenyl)-5-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide is CC1=C(C(=O)NC2CCCc3ccccc32)C(c2ccc(Cl)c(Cl)c2)n2nc(C(F)(F)F)cc2N1.
What is the InChIKey of 7-(3,4-dichlorophenyl)-5-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is PVUOBQQTLRUBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21Cl2F3N4O/c1-13-22(24(35)32-19-8-4-6-14-5-2-3-7-16(14)19)23(15-9-10-17(26)18(27)11-15)34-21(31-13)12-20(33-34)25(28,29)30/h2-3,5,7,9-12,19,23,31H,4,6,8H2,1H3,(H,32,35).
What are the key properties of 7-(3,4-dichlorophenyl)-5-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
7-(3,4-dichlorophenyl)-5-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 521.37 g/mol, XLogP of 6.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dichlorophenyl)-5-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135843733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).