2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide

C14H16F2N4O2 — CID 19530408

IUPAC2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
SMILESCc1noc(C)c1NC(=O)Cn1nc(C2CC2)cc1C(F)F
InChIInChI=1S/C14H16F2N4O2/c1-7-13(8(2)22-19-7)17-12(21)6-20-11(14(15)16)5-10(18-20)9-3-4-9/h5,9,14H,3-4,6H2,1-2H3,(H,17,21)
InChIKeyNPIRDFDYWDJPBU-UHFFFAOYSA-N
MW310.30 g/mol
LogP2.94
Rot. Bonds5

About 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide

2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide (PubChem CID 19530408) has the molecular formula C14H16F2N4O2 and a molecular weight of 310.30 g/mol. Its IUPAC name is 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
PubChem CID19530408
Molecular FormulaC14H16F2N4O2
Molecular Weight310.30 g/mol
Exact Mass310.12
IUPAC Name2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
SMILESCc1noc(C)c1NC(=O)Cn1nc(C2CC2)cc1C(F)F
InChIInChI=1S/C14H16F2N4O2/c1-7-13(8(2)22-19-7)17-12(21)6-20-11(14(15)16)5-10(18-20)9-3-4-9/h5,9,14H,3-4,6H2,1-2H3,(H,17,21)
InChIKeyNPIRDFDYWDJPBU-UHFFFAOYSA-N
XLogP2.94
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 19526362
2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]acetamide
CID 19530246
2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide
CID 19530270
dimethyl 5-[[2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]acetyl]amino]benzene-1,3-dicarboxylate
CID 19530124
2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)acetamide
CID 19530209
ethyl 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]acetate
CID 7017150
dimethyl 5-[[2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 19530182
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]acetamide
CID 19530287
N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]acetamide
CID 19530319
N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(5-methylpyrazol-1-yl)acetamide
CID 19522980
2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]acetamide
CID 19530300
N-[3-[[2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]acetyl]amino]phenyl]-1-methylpyrazole-3-carboxamide
CID 19530365

Frequently Asked Questions

What is the IUPAC name of 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The IUPAC name of 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide (CID 19530408) is 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide.
What is the SMILES notation for 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The canonical SMILES for 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide is Cc1noc(C)c1NC(=O)Cn1nc(C2CC2)cc1C(F)F.
What is the InChIKey of 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The InChIKey is NPIRDFDYWDJPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N4O2/c1-7-13(8(2)22-19-7)17-12(21)6-20-11(14(15)16)5-10(18-20)9-3-4-9/h5,9,14H,3-4,6H2,1-2H3,(H,17,21).
What are the key properties of 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide has a molecular weight of 310.30 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide is sourced from PubChem (CID 19530408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).