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

C18H13F2N5O2 — CID 654942

IUPAC7-(difluoromethyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(NC(=O)c2cnn3c(C(F)F)cc(-c4ccccc4)nc23)no1
InChIInChI=1S/C18H13F2N5O2/c1-10-7-15(24-27-10)23-18(26)12-9-21-25-14(16(19)20)8-13(22-17(12)25)11-5-3-2-4-6-11/h2-9,16H,1H3,(H,23,24,26)
InChIKeyKVEHAVCOAZRLGB-UHFFFAOYSA-N
MW369.33 g/mol
LogP3.88
Rot. Bonds4

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

7-(difluoromethyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 654942) has the molecular formula C18H13F2N5O2 and a molecular weight of 369.33 g/mol. Its IUPAC name is 7-(difluoromethyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(difluoromethyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID654942
Molecular FormulaC18H13F2N5O2
Molecular Weight369.33 g/mol
Exact Mass369.10
IUPAC Name7-(difluoromethyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(NC(=O)c2cnn3c(C(F)F)cc(-c4ccccc4)nc23)no1
InChIInChI=1S/C18H13F2N5O2/c1-10-7-15(24-27-10)23-18(26)12-9-21-25-14(16(19)20)8-13(22-17(12)25)11-5-3-2-4-6-11/h2-9,16H,1H3,(H,23,24,26)
InChIKeyKVEHAVCOAZRLGB-UHFFFAOYSA-N
XLogP3.88
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.33
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(difluoromethyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 654942) is 7-(difluoromethyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(difluoromethyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(difluoromethyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(NC(=O)c2cnn3c(C(F)F)cc(-c4ccccc4)nc23)no1.
What is the InChIKey of 7-(difluoromethyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is KVEHAVCOAZRLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N5O2/c1-10-7-15(24-27-10)23-18(26)12-9-21-25-14(16(19)20)8-13(22-17(12)25)11-5-3-2-4-6-11/h2-9,16H,1H3,(H,23,24,26).
What are the key properties of 7-(difluoromethyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(difluoromethyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 369.33 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 654942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).