N-(2-bicyclo[2.2.1]heptanyl)-7-(3,4-dichlorophenyl)-5-methyl-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide

C22H21Cl2F3N4O — CID 135843918

IUPACN-(2-bicyclo[2.2.1]heptanyl)-7-(3,4-dichlorophenyl)-5-methyl-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)NC2CC3CCC2C3)C(c2ccc(Cl)c(Cl)c2)n2nc(C(F)(F)F)cc2N1
InChIInChI=1S/C22H21Cl2F3N4O/c1-10-19(21(32)29-16-7-11-2-3-12(16)6-11)20(13-4-5-14(23)15(24)8-13)31-18(28-10)9-17(30-31)22(25,26)27/h4-5,8-9,11-12,16,20,28H,2-3,6-7H2,1H3,(H,29,32)
InChIKeyRCFPWFOPSRNEBO-UHFFFAOYSA-N
MW485.34 g/mol
LogP5.80
Rot. Bonds3

About N-(2-bicyclo[2.2.1]heptanyl)-7-(3,4-dichlorophenyl)-5-methyl-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide

N-(2-bicyclo[2.2.1]heptanyl)-7-(3,4-dichlorophenyl)-5-methyl-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135843918) has the molecular formula C22H21Cl2F3N4O and a molecular weight of 485.34 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-7-(3,4-dichlorophenyl)-5-methyl-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-7-(3,4-dichlorophenyl)-5-methyl-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID135843918
Molecular FormulaC22H21Cl2F3N4O
Molecular Weight485.34 g/mol
Exact Mass484.10
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-7-(3,4-dichlorophenyl)-5-methyl-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)NC2CC3CCC2C3)C(c2ccc(Cl)c(Cl)c2)n2nc(C(F)(F)F)cc2N1
InChIInChI=1S/C22H21Cl2F3N4O/c1-10-19(21(32)29-16-7-11-2-3-12(16)6-11)20(13-4-5-14(23)15(24)8-13)31-18(28-10)9-17(30-31)22(25,26)27/h4-5,8-9,11-12,16,20,28H,2-3,6-7H2,1H3,(H,29,32)
InChIKeyRCFPWFOPSRNEBO-UHFFFAOYSA-N
XLogP5.80
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.34
LogP ≤ 55.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-bicyclo[2.2.1]heptanyl)-7-(3,4-dichlorophenyl)-5-methyl-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-7-(3,4-dichlorophenyl)-5-methyl-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-7-(3,4-dichlorophenyl)-5-methyl-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 135843918) is N-(2-bicyclo[2.2.1]heptanyl)-7-(3,4-dichlorophenyl)-5-methyl-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-7-(3,4-dichlorophenyl)-5-methyl-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-7-(3,4-dichlorophenyl)-5-methyl-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide is CC1=C(C(=O)NC2CC3CCC2C3)C(c2ccc(Cl)c(Cl)c2)n2nc(C(F)(F)F)cc2N1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-7-(3,4-dichlorophenyl)-5-methyl-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is RCFPWFOPSRNEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2F3N4O/c1-10-19(21(32)29-16-7-11-2-3-12(16)6-11)20(13-4-5-14(23)15(24)8-13)31-18(28-10)9-17(30-31)22(25,26)27/h4-5,8-9,11-12,16,20,28H,2-3,6-7H2,1H3,(H,29,32).
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-7-(3,4-dichlorophenyl)-5-methyl-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
N-(2-bicyclo[2.2.1]heptanyl)-7-(3,4-dichlorophenyl)-5-methyl-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 485.34 g/mol, XLogP of 5.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-7-(3,4-dichlorophenyl)-5-methyl-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135843918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).