3-[4-(difluoromethoxy)phenyl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrazole-5-carboxamide

C16H14F2N4O3 — CID 19514396

IUPAC3-[4-(difluoromethoxy)phenyl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrazole-5-carboxamide
SMILESCc1noc(C)c1NC(=O)c1cc(-c2ccc(OC(F)F)cc2)n[nH]1
InChIInChI=1S/C16H14F2N4O3/c1-8-14(9(2)25-22-8)19-15(23)13-7-12(20-21-13)10-3-5-11(6-4-10)24-16(17)18/h3-7,16H,1-2H3,(H,19,23)(H,20,21)
InChIKeyGKCMTFSIZBRDNL-UHFFFAOYSA-N
MW348.31 g/mol
LogP3.54
Rot. Bonds5

About 3-[4-(difluoromethoxy)phenyl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrazole-5-carboxamide

3-[4-(difluoromethoxy)phenyl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrazole-5-carboxamide (PubChem CID 19514396) has the molecular formula C16H14F2N4O3 and a molecular weight of 348.31 g/mol. Its IUPAC name is 3-[4-(difluoromethoxy)phenyl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-[4-(difluoromethoxy)phenyl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrazole-5-carboxamide
PubChem CID19514396
Molecular FormulaC16H14F2N4O3
Molecular Weight348.31 g/mol
Exact Mass348.10
IUPAC Name3-[4-(difluoromethoxy)phenyl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrazole-5-carboxamide
SMILESCc1noc(C)c1NC(=O)c1cc(-c2ccc(OC(F)F)cc2)n[nH]1
InChIInChI=1S/C16H14F2N4O3/c1-8-14(9(2)25-22-8)19-15(23)13-7-12(20-21-13)10-3-5-11(6-4-10)24-16(17)18/h3-7,16H,1-2H3,(H,19,23)(H,20,21)
InChIKeyGKCMTFSIZBRDNL-UHFFFAOYSA-N
XLogP3.54
TPSA93.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.31
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(difluoromethoxy)phenyl]-N-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazole-5-carboxamide
CID 19514191
3-[4-(difluoromethoxy)phenyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 19514374
N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 19514130
dimethyl 5-[[3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 19514163
N-[3-chloro-4-(difluoromethoxy)phenyl]-3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 19514246
3-(1,3-benzodioxol-5-yl)-N-[4-(difluoromethoxy)-2-methylphenyl]-1H-pyrazole-5-carboxamide
CID 19513359
3-[4-(difluoromethoxy)phenyl]-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide
CID 19514167
3-(4-chlorophenyl)-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1H-pyrazole-5-carboxamide
CID 19509508
ethyl 2-[2-[[3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 19514215
3-[4-(difluoromethoxy)phenyl]-N-(3-propan-2-yloxypropyl)-1H-pyrazole-5-carboxamide
CID 19514379
N-[4-(difluoromethoxy)-3-methoxyphenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19508924
N-(1-benzyl-1,2,4-triazol-3-yl)-3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 19514316

Frequently Asked Questions

What is the IUPAC name of 3-[4-(difluoromethoxy)phenyl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-[4-(difluoromethoxy)phenyl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrazole-5-carboxamide (CID 19514396) is 3-[4-(difluoromethoxy)phenyl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-[4-(difluoromethoxy)phenyl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-[4-(difluoromethoxy)phenyl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrazole-5-carboxamide is Cc1noc(C)c1NC(=O)c1cc(-c2ccc(OC(F)F)cc2)n[nH]1.
What is the InChIKey of 3-[4-(difluoromethoxy)phenyl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is GKCMTFSIZBRDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N4O3/c1-8-14(9(2)25-22-8)19-15(23)13-7-12(20-21-13)10-3-5-11(6-4-10)24-16(17)18/h3-7,16H,1-2H3,(H,19,23)(H,20,21).
What are the key properties of 3-[4-(difluoromethoxy)phenyl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrazole-5-carboxamide?
3-[4-(difluoromethoxy)phenyl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 348.31 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(difluoromethoxy)phenyl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19514396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).