1-(difluoromethyl)-N,5-dimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrazole-3-carboxamide

C16H15F2N5O2 — CID 156587003

IUPAC1-(difluoromethyl)-N,5-dimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2nnc(-c3ccccc3)o2)nn1C(F)F
InChIInChI=1S/C16H15F2N5O2/c1-10-8-12(21-23(10)16(17)18)15(24)22(2)9-13-19-20-14(25-13)11-6-4-3-5-7-11/h3-8,16H,9H2,1-2H3
InChIKeyMGVYJOJRPWBRIE-UHFFFAOYSA-N
MW347.33 g/mol
LogP2.91
Rot. Bonds5

About 1-(difluoromethyl)-N,5-dimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrazole-3-carboxamide

1-(difluoromethyl)-N,5-dimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrazole-3-carboxamide (PubChem CID 156587003) has the molecular formula C16H15F2N5O2 and a molecular weight of 347.33 g/mol. Its IUPAC name is 1-(difluoromethyl)-N,5-dimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(difluoromethyl)-N,5-dimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrazole-3-carboxamide
PubChem CID156587003
Molecular FormulaC16H15F2N5O2
Molecular Weight347.33 g/mol
Exact Mass347.12
IUPAC Name1-(difluoromethyl)-N,5-dimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2nnc(-c3ccccc3)o2)nn1C(F)F
InChIInChI=1S/C16H15F2N5O2/c1-10-8-12(21-23(10)16(17)18)15(24)22(2)9-13-19-20-14(25-13)11-6-4-3-5-7-11/h3-8,16H,9H2,1-2H3
InChIKeyMGVYJOJRPWBRIE-UHFFFAOYSA-N
XLogP2.91
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,5,7-trimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 77085010
N,3-dimethyl-2-phenyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]imidazole-4-carboxamide
CID 156584441
6-ethyl-N,3-dimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 46979234
5-acetyl-N,2,4-trimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrrole-3-carboxamide
CID 77080553
(2R)-2-imidazol-1-yl-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propanamide
CID 126447800
formic acid;N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 154912620
3-(4-methoxyphenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,2-oxazole-5-carboxamide
CID 46978542
N,N-dimethyl-2-[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide
CID 34161725
3-(6-aminopyrazin-2-yl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 162634482
N-methyl-N-[[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 162418406
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 31105412
5-cyclohexyl-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrazole-4-carboxamide
CID 70709269

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N,5-dimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(difluoromethyl)-N,5-dimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrazole-3-carboxamide (CID 156587003) is 1-(difluoromethyl)-N,5-dimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(difluoromethyl)-N,5-dimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(difluoromethyl)-N,5-dimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrazole-3-carboxamide is Cc1cc(C(=O)N(C)Cc2nnc(-c3ccccc3)o2)nn1C(F)F.
What is the InChIKey of 1-(difluoromethyl)-N,5-dimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrazole-3-carboxamide?
The InChIKey is MGVYJOJRPWBRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N5O2/c1-10-8-12(21-23(10)16(17)18)15(24)22(2)9-13-19-20-14(25-13)11-6-4-3-5-7-11/h3-8,16H,9H2,1-2H3.
What are the key properties of 1-(difluoromethyl)-N,5-dimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrazole-3-carboxamide?
1-(difluoromethyl)-N,5-dimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 347.33 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N,5-dimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 156587003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).