7-(difluoromethyl)-N-(2-methoxy-5-methylphenyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H20F2N4O2 — CID 1094028

IUPAC7-(difluoromethyl)-N-(2-methoxy-5-methylphenyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cnn2c(C(F)F)cc(-c3ccc(C)cc3)nc12
InChIInChI=1S/C23H20F2N4O2/c1-13-4-7-15(8-5-13)17-11-19(21(24)25)29-22(27-17)16(12-26-29)23(30)28-18-10-14(2)6-9-20(18)31-3/h4-12,21H,1-3H3,(H,28,30)
InChIKeyNYVIZWMMXREJJO-UHFFFAOYSA-N
MW422.44 g/mol
LogP5.21
Rot. Bonds5

About 7-(difluoromethyl)-N-(2-methoxy-5-methylphenyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

7-(difluoromethyl)-N-(2-methoxy-5-methylphenyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 1094028) has the molecular formula C23H20F2N4O2 and a molecular weight of 422.44 g/mol. Its IUPAC name is 7-(difluoromethyl)-N-(2-methoxy-5-methylphenyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(difluoromethyl)-N-(2-methoxy-5-methylphenyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID1094028
Molecular FormulaC23H20F2N4O2
Molecular Weight422.44 g/mol
Exact Mass422.16
IUPAC Name7-(difluoromethyl)-N-(2-methoxy-5-methylphenyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cnn2c(C(F)F)cc(-c3ccc(C)cc3)nc12
InChIInChI=1S/C23H20F2N4O2/c1-13-4-7-15(8-5-13)17-11-19(21(24)25)29-22(27-17)16(12-26-29)23(30)28-18-10-14(2)6-9-20(18)31-3/h4-12,21H,1-3H3,(H,28,30)
InChIKeyNYVIZWMMXREJJO-UHFFFAOYSA-N
XLogP5.21
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.44
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

HCAR2 agonist 1
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Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-N-(2-methoxy-5-methylphenyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(difluoromethyl)-N-(2-methoxy-5-methylphenyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 1094028) is 7-(difluoromethyl)-N-(2-methoxy-5-methylphenyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(difluoromethyl)-N-(2-methoxy-5-methylphenyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(difluoromethyl)-N-(2-methoxy-5-methylphenyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccc(C)cc1NC(=O)c1cnn2c(C(F)F)cc(-c3ccc(C)cc3)nc12.
What is the InChIKey of 7-(difluoromethyl)-N-(2-methoxy-5-methylphenyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is NYVIZWMMXREJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N4O2/c1-13-4-7-15(8-5-13)17-11-19(21(24)25)29-22(27-17)16(12-26-29)23(30)28-18-10-14(2)6-9-20(18)31-3/h4-12,21H,1-3H3,(H,28,30).
What are the key properties of 7-(difluoromethyl)-N-(2-methoxy-5-methylphenyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(difluoromethyl)-N-(2-methoxy-5-methylphenyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 422.44 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-N-(2-methoxy-5-methylphenyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 1094028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).