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

C20H18F2N6O — CID 1094032

IUPAC7-(difluoromethyl)-N-(1,3-dimethylpyrazol-4-yl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4cn(C)nc4C)c3n2)cc1
InChIInChI=1S/C20H18F2N6O/c1-11-4-6-13(7-5-11)15-8-17(18(21)22)28-19(24-15)14(9-23-28)20(29)25-16-10-27(3)26-12(16)2/h4-10,18H,1-3H3,(H,25,29)
InChIKeyFLXYNSYXBNADFX-UHFFFAOYSA-N
MW396.40 g/mol
LogP3.94
Rot. Bonds4

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

7-(difluoromethyl)-N-(1,3-dimethylpyrazol-4-yl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 1094032) has the molecular formula C20H18F2N6O and a molecular weight of 396.40 g/mol. Its IUPAC name is 7-(difluoromethyl)-N-(1,3-dimethylpyrazol-4-yl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(difluoromethyl)-N-(1,3-dimethylpyrazol-4-yl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID1094032
Molecular FormulaC20H18F2N6O
Molecular Weight396.40 g/mol
Exact Mass396.15
IUPAC Name7-(difluoromethyl)-N-(1,3-dimethylpyrazol-4-yl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4cn(C)nc4C)c3n2)cc1
InChIInChI=1S/C20H18F2N6O/c1-11-4-6-13(7-5-11)15-8-17(18(21)22)28-19(24-15)14(9-23-28)20(29)25-16-10-27(3)26-12(16)2/h4-10,18H,1-3H3,(H,25,29)
InChIKeyFLXYNSYXBNADFX-UHFFFAOYSA-N
XLogP3.94
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-N-(1,3-dimethylpyrazol-4-yl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(difluoromethyl)-N-(1,3-dimethylpyrazol-4-yl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 1094032) is 7-(difluoromethyl)-N-(1,3-dimethylpyrazol-4-yl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(difluoromethyl)-N-(1,3-dimethylpyrazol-4-yl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(difluoromethyl)-N-(1,3-dimethylpyrazol-4-yl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4cn(C)nc4C)c3n2)cc1.
What is the InChIKey of 7-(difluoromethyl)-N-(1,3-dimethylpyrazol-4-yl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is FLXYNSYXBNADFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N6O/c1-11-4-6-13(7-5-11)15-8-17(18(21)22)28-19(24-15)14(9-23-28)20(29)25-16-10-27(3)26-12(16)2/h4-10,18H,1-3H3,(H,25,29).
What are the key properties of 7-(difluoromethyl)-N-(1,3-dimethylpyrazol-4-yl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(difluoromethyl)-N-(1,3-dimethylpyrazol-4-yl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 396.40 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-N-(1,3-dimethylpyrazol-4-yl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 1094032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).