7-(difluoromethyl)-N-(1,2-oxazol-3-yl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H11F2N5O2 — CID 4772591

IUPAC7-(difluoromethyl)-N-(1,2-oxazol-3-yl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1ccon1)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12
InChIInChI=1S/C17H11F2N5O2/c18-15(19)13-8-12(10-4-2-1-3-5-10)21-16-11(9-20-24(13)16)17(25)22-14-6-7-26-23-14/h1-9,15H,(H,22,23,25)
InChIKeyZXESNIAVGWKARF-UHFFFAOYSA-N
MW355.30 g/mol
LogP3.57
Rot. Bonds4

About 7-(difluoromethyl)-N-(1,2-oxazol-3-yl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

7-(difluoromethyl)-N-(1,2-oxazol-3-yl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 4772591) has the molecular formula C17H11F2N5O2 and a molecular weight of 355.30 g/mol. Its IUPAC name is 7-(difluoromethyl)-N-(1,2-oxazol-3-yl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(difluoromethyl)-N-(1,2-oxazol-3-yl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID4772591
Molecular FormulaC17H11F2N5O2
Molecular Weight355.30 g/mol
Exact Mass355.09
IUPAC Name7-(difluoromethyl)-N-(1,2-oxazol-3-yl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1ccon1)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12
InChIInChI=1S/C17H11F2N5O2/c18-15(19)13-8-12(10-4-2-1-3-5-10)21-16-11(9-20-24(13)16)17(25)22-14-6-7-26-23-14/h1-9,15H,(H,22,23,25)
InChIKeyZXESNIAVGWKARF-UHFFFAOYSA-N
XLogP3.57
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.30
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-N-(1,2-oxazol-3-yl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(difluoromethyl)-N-(1,2-oxazol-3-yl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 4772591) is 7-(difluoromethyl)-N-(1,2-oxazol-3-yl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(difluoromethyl)-N-(1,2-oxazol-3-yl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(difluoromethyl)-N-(1,2-oxazol-3-yl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1ccon1)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12.
What is the InChIKey of 7-(difluoromethyl)-N-(1,2-oxazol-3-yl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ZXESNIAVGWKARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2N5O2/c18-15(19)13-8-12(10-4-2-1-3-5-10)21-16-11(9-20-24(13)16)17(25)22-14-6-7-26-23-14/h1-9,15H,(H,22,23,25).
What are the key properties of 7-(difluoromethyl)-N-(1,2-oxazol-3-yl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(difluoromethyl)-N-(1,2-oxazol-3-yl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 355.30 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-N-(1,2-oxazol-3-yl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 4772591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).