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

C19H16F2N4O2 — CID 997125

IUPACN-(4-acetylphenyl)-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cnn3c(C(F)F)cc(C4CC4)nc23)cc1
InChIInChI=1S/C19H16F2N4O2/c1-10(26)11-4-6-13(7-5-11)23-19(27)14-9-22-25-16(17(20)21)8-15(12-2-3-12)24-18(14)25/h4-9,12,17H,2-3H2,1H3,(H,23,27)
InChIKeyMSKJKAZPKHLWPE-UHFFFAOYSA-N
MW370.36 g/mol
LogP4.00
Rot. Bonds5

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

N-(4-acetylphenyl)-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 997125) has the molecular formula C19H16F2N4O2 and a molecular weight of 370.36 g/mol. Its IUPAC name is N-(4-acetylphenyl)-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID997125
Molecular FormulaC19H16F2N4O2
Molecular Weight370.36 g/mol
Exact Mass370.12
IUPAC NameN-(4-acetylphenyl)-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cnn3c(C(F)F)cc(C4CC4)nc23)cc1
InChIInChI=1S/C19H16F2N4O2/c1-10(26)11-4-6-13(7-5-11)23-19(27)14-9-22-25-16(17(20)21)8-15(12-2-3-12)24-18(14)25/h4-9,12,17H,2-3H2,1H3,(H,23,27)
InChIKeyMSKJKAZPKHLWPE-UHFFFAOYSA-N
XLogP4.00
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 997125) is N-(4-acetylphenyl)-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(=O)c1ccc(NC(=O)c2cnn3c(C(F)F)cc(C4CC4)nc23)cc1.
What is the InChIKey of N-(4-acetylphenyl)-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is MSKJKAZPKHLWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O2/c1-10(26)11-4-6-13(7-5-11)23-19(27)14-9-22-25-16(17(20)21)8-15(12-2-3-12)24-18(14)25/h4-9,12,17H,2-3H2,1H3,(H,23,27).
What are the key properties of N-(4-acetylphenyl)-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(4-acetylphenyl)-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 370.36 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 997125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).