5-(4-methoxyphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide

C23H24F3N5O2 — CID 2984694

IUPAC5-(4-methoxyphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOc1ccc(C2CC(C(F)(F)F)n3nc(C(=O)N(C)CCc4ccccn4)cc3N2)cc1
InChIInChI=1S/C23H24F3N5O2/c1-30(12-10-16-5-3-4-11-27-16)22(32)19-14-21-28-18(15-6-8-17(33-2)9-7-15)13-20(23(24,25)26)31(21)29-19/h3-9,11,14,18,20,28H,10,12-13H2,1-2H3
InChIKeyMMIODXWDJDHKIC-UHFFFAOYSA-N
MW459.47 g/mol
LogP4.26
Rot. Bonds6

About 5-(4-methoxyphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide

5-(4-methoxyphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 2984694) has the molecular formula C23H24F3N5O2 and a molecular weight of 459.47 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID2984694
Molecular FormulaC23H24F3N5O2
Molecular Weight459.47 g/mol
Exact Mass459.19
IUPAC Name5-(4-methoxyphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOc1ccc(C2CC(C(F)(F)F)n3nc(C(=O)N(C)CCc4ccccn4)cc3N2)cc1
InChIInChI=1S/C23H24F3N5O2/c1-30(12-10-16-5-3-4-11-27-16)22(32)19-14-21-28-18(15-6-8-17(33-2)9-7-15)13-20(23(24,25)26)31(21)29-19/h3-9,11,14,18,20,28H,10,12-13H2,1-2H3
InChIKeyMMIODXWDJDHKIC-UHFFFAOYSA-N
XLogP4.26
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.47
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5-(4-methoxyphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 2984694) is 5-(4-methoxyphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-(4-methoxyphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5-(4-methoxyphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide is COc1ccc(C2CC(C(F)(F)F)n3nc(C(=O)N(C)CCc4ccccn4)cc3N2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is MMIODXWDJDHKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N5O2/c1-30(12-10-16-5-3-4-11-27-16)22(32)19-14-21-28-18(15-6-8-17(33-2)9-7-15)13-20(23(24,25)26)31(21)29-19/h3-9,11,14,18,20,28H,10,12-13H2,1-2H3.
What are the key properties of 5-(4-methoxyphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
5-(4-methoxyphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 459.47 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 2984694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).