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

C23H20F2N4O — CID 995507

IUPAC7-(difluoromethyl)-N-(3-ethylphenyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCc1cccc(NC(=O)c2cnn3c(C(F)F)cc(-c4ccc(C)cc4)nc23)c1
InChIInChI=1S/C23H20F2N4O/c1-3-15-5-4-6-17(11-15)27-23(30)18-13-26-29-20(21(24)25)12-19(28-22(18)29)16-9-7-14(2)8-10-16/h4-13,21H,3H2,1-2H3,(H,27,30)
InChIKeyKIDGMHDYWOCXGM-UHFFFAOYSA-N
MW406.44 g/mol
LogP5.46
Rot. Bonds5

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

7-(difluoromethyl)-N-(3-ethylphenyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 995507) has the molecular formula C23H20F2N4O and a molecular weight of 406.44 g/mol. Its IUPAC name is 7-(difluoromethyl)-N-(3-ethylphenyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(difluoromethyl)-N-(3-ethylphenyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID995507
Molecular FormulaC23H20F2N4O
Molecular Weight406.44 g/mol
Exact Mass406.16
IUPAC Name7-(difluoromethyl)-N-(3-ethylphenyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCc1cccc(NC(=O)c2cnn3c(C(F)F)cc(-c4ccc(C)cc4)nc23)c1
InChIInChI=1S/C23H20F2N4O/c1-3-15-5-4-6-17(11-15)27-23(30)18-13-26-29-20(21(24)25)12-19(28-22(18)29)16-9-7-14(2)8-10-16/h4-13,21H,3H2,1-2H3,(H,27,30)
InChIKeyKIDGMHDYWOCXGM-UHFFFAOYSA-N
XLogP5.46
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.44
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-N-(3-ethylphenyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(difluoromethyl)-N-(3-ethylphenyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 995507) is 7-(difluoromethyl)-N-(3-ethylphenyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(difluoromethyl)-N-(3-ethylphenyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(difluoromethyl)-N-(3-ethylphenyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCc1cccc(NC(=O)c2cnn3c(C(F)F)cc(-c4ccc(C)cc4)nc23)c1.
What is the InChIKey of 7-(difluoromethyl)-N-(3-ethylphenyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is KIDGMHDYWOCXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N4O/c1-3-15-5-4-6-17(11-15)27-23(30)18-13-26-29-20(21(24)25)12-19(28-22(18)29)16-9-7-14(2)8-10-16/h4-13,21H,3H2,1-2H3,(H,27,30).
What are the key properties of 7-(difluoromethyl)-N-(3-ethylphenyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(difluoromethyl)-N-(3-ethylphenyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 406.44 g/mol, XLogP of 5.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-N-(3-ethylphenyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 995507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).