N-cyclohexyl-N-methyl-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C22H23F3N4O — CID 1113950

IUPACN-cyclohexyl-N-methyl-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N(C)C4CCCCC4)cc3n2)cc1
InChIInChI=1S/C22H23F3N4O/c1-14-8-10-15(11-9-14)17-12-19(22(23,24)25)29-20(26-17)13-18(27-29)21(30)28(2)16-6-4-3-5-7-16/h8-13,16H,3-7H2,1-2H3
InChIKeyHWJNATAYZPJONJ-UHFFFAOYSA-N
MW416.45 g/mol
LogP5.13
Rot. Bonds3

About N-cyclohexyl-N-methyl-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

N-cyclohexyl-N-methyl-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 1113950) has the molecular formula C22H23F3N4O and a molecular weight of 416.45 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID1113950
Molecular FormulaC22H23F3N4O
Molecular Weight416.45 g/mol
Exact Mass416.18
IUPAC NameN-cyclohexyl-N-methyl-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N(C)C4CCCCC4)cc3n2)cc1
InChIInChI=1S/C22H23F3N4O/c1-14-8-10-15(11-9-14)17-12-19(22(23,24)25)29-20(26-17)13-18(27-29)21(30)28(2)16-6-4-3-5-7-16/h8-13,16H,3-7H2,1-2H3
InChIKeyHWJNATAYZPJONJ-UHFFFAOYSA-N
XLogP5.13
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.45
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-cyclohexyl-N-methyl-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 1113950) is N-cyclohexyl-N-methyl-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-cyclohexyl-N-methyl-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N(C)C4CCCCC4)cc3n2)cc1.
What is the InChIKey of N-cyclohexyl-N-methyl-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is HWJNATAYZPJONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O/c1-14-8-10-15(11-9-14)17-12-19(22(23,24)25)29-20(26-17)13-18(27-29)21(30)28(2)16-6-4-3-5-7-16/h8-13,16H,3-7H2,1-2H3.
What are the key properties of N-cyclohexyl-N-methyl-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-cyclohexyl-N-methyl-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 416.45 g/mol, XLogP of 5.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 1113950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).