1-(difluoromethyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-3-carboxamide

C9H8F2N4O2 — CID 4769178

IUPAC1-(difluoromethyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-3-carboxamide
SMILESCc1cc(NC(=O)c2ccn(C(F)F)n2)no1
InChIInChI=1S/C9H8F2N4O2/c1-5-4-7(14-17-5)12-8(16)6-2-3-15(13-6)9(10)11/h2-4,9H,1H3,(H,12,14,16)
InChIKeyHXHGWHOLYNMJJI-UHFFFAOYSA-N
MW242.19 g/mol
LogP1.83
Rot. Bonds3

About 1-(difluoromethyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-3-carboxamide

1-(difluoromethyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-3-carboxamide (PubChem CID 4769178) has the molecular formula C9H8F2N4O2 and a molecular weight of 242.19 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(difluoromethyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-3-carboxamide
PubChem CID4769178
Molecular FormulaC9H8F2N4O2
Molecular Weight242.19 g/mol
Exact Mass242.06
IUPAC Name1-(difluoromethyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-3-carboxamide
SMILESCc1cc(NC(=O)c2ccn(C(F)F)n2)no1
InChIInChI=1S/C9H8F2N4O2/c1-5-4-7(14-17-5)12-8(16)6-2-3-15(13-6)9(10)11/h2-4,9H,1H3,(H,12,14,16)
InChIKeyHXHGWHOLYNMJJI-UHFFFAOYSA-N
XLogP1.83
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.19
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-(difluoromethyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-3-carboxamide (CID 4769178) is 1-(difluoromethyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(difluoromethyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(difluoromethyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-3-carboxamide is Cc1cc(NC(=O)c2ccn(C(F)F)n2)no1.
What is the InChIKey of 1-(difluoromethyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-3-carboxamide?
The InChIKey is HXHGWHOLYNMJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N4O2/c1-5-4-7(14-17-5)12-8(16)6-2-3-15(13-6)9(10)11/h2-4,9H,1H3,(H,12,14,16).
What are the key properties of 1-(difluoromethyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-3-carboxamide?
1-(difluoromethyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-3-carboxamide has a molecular weight of 242.19 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 4769178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).