N-(3,5-dimethyl-1-phenylpyrazol-4-yl)oxane-4-carboxamide

C17H21N3O2 — CID 51279535

IUPACN-(3,5-dimethyl-1-phenylpyrazol-4-yl)oxane-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)C1CCOCC1
InChIInChI=1S/C17H21N3O2/c1-12-16(18-17(21)14-8-10-22-11-9-14)13(2)20(19-12)15-6-4-3-5-7-15/h3-7,14H,8-11H2,1-2H3,(H,18,21)
InChIKeyHRWRTDYKLRJYIJ-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.85
Rot. Bonds3

About N-(3,5-dimethyl-1-phenylpyrazol-4-yl)oxane-4-carboxamide

N-(3,5-dimethyl-1-phenylpyrazol-4-yl)oxane-4-carboxamide (PubChem CID 51279535) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1-phenylpyrazol-4-yl)oxane-4-carboxamide
PubChem CID51279535
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-(3,5-dimethyl-1-phenylpyrazol-4-yl)oxane-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)C1CCOCC1
InChIInChI=1S/C17H21N3O2/c1-12-16(18-17(21)14-8-10-22-11-9-14)13(2)20(19-12)15-6-4-3-5-7-15/h3-7,14H,8-11H2,1-2H3,(H,18,21)
InChIKeyHRWRTDYKLRJYIJ-UHFFFAOYSA-N
XLogP2.85
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperidine-3-carboxamide
CID 119275721
1-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55816585
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-morpholin-4-ylpiperidine-1-carboxamide
CID 45237197
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-phenylmorpholine-4-carboxamide
CID 71870397
N-[4-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]amino]phenyl]cyclopropanecarboxamide
CID 26059043
N-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl]cyclobutanecarboxamide
CID 110717356
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 24643726
N'-(oxane-4-carbonyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
CID 30992875
2-chloro-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
CID 47002122
1-tert-butyl-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)urea
CID 78834613
1-cyclopropyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2,5-dimethylpyrrole-3-carboxamide
CID 71943860
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119697911

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)oxane-4-carboxamide?
The IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)oxane-4-carboxamide (CID 51279535) is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)oxane-4-carboxamide.
What is the SMILES notation for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)oxane-4-carboxamide?
The canonical SMILES for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)oxane-4-carboxamide is Cc1nn(-c2ccccc2)c(C)c1NC(=O)C1CCOCC1.
What is the InChIKey of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)oxane-4-carboxamide?
The InChIKey is HRWRTDYKLRJYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12-16(18-17(21)14-8-10-22-11-9-14)13(2)20(19-12)15-6-4-3-5-7-15/h3-7,14H,8-11H2,1-2H3,(H,18,21).
What are the key properties of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)oxane-4-carboxamide?
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)oxane-4-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)oxane-4-carboxamide is sourced from PubChem (CID 51279535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).