N-[3-(pyrazol-1-ylmethyl)phenyl]oxane-4-carboxamide

C16H19N3O2 — CID 39190126

IUPACN-[3-(pyrazol-1-ylmethyl)phenyl]oxane-4-carboxamide
SMILESO=C(Nc1cccc(Cn2cccn2)c1)C1CCOCC1
InChIInChI=1S/C16H19N3O2/c20-16(14-5-9-21-10-6-14)18-15-4-1-3-13(11-15)12-19-8-2-7-17-19/h1-4,7-8,11,14H,5-6,9-10,12H2,(H,18,20)
InChIKeyGJYRSHCFTQJDRC-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.30
Rot. Bonds4

About N-[3-(pyrazol-1-ylmethyl)phenyl]oxane-4-carboxamide

N-[3-(pyrazol-1-ylmethyl)phenyl]oxane-4-carboxamide (PubChem CID 39190126) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[3-(pyrazol-1-ylmethyl)phenyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[3-(pyrazol-1-ylmethyl)phenyl]oxane-4-carboxamide
PubChem CID39190126
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-[3-(pyrazol-1-ylmethyl)phenyl]oxane-4-carboxamide
SMILESO=C(Nc1cccc(Cn2cccn2)c1)C1CCOCC1
InChIInChI=1S/C16H19N3O2/c20-16(14-5-9-21-10-6-14)18-15-4-1-3-13(11-15)12-19-8-2-7-17-19/h1-4,7-8,11,14H,5-6,9-10,12H2,(H,18,20)
InChIKeyGJYRSHCFTQJDRC-UHFFFAOYSA-N
XLogP2.30
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(furan-3-carbonyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]piperidine-4-carboxamide
CID 39189984
N-[3-(pyrazol-1-ylmethyl)phenyl]morpholine-4-carboxamide
CID 34688755
N-[3-(ethylaminomethyl)phenyl]oxane-4-carboxamide
CID 43601115
N-[3-(pyrazol-1-ylmethyl)phenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 39190015
(3R)-3-hydroxy-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-1-carboxamide
CID 111431314
N-[3-(propylaminomethyl)phenyl]oxane-4-carboxamide
CID 106910686
N-(oxolan-3-ylmethyl)-3-(pyrazol-1-ylmethyl)aniline
CID 43738881
2-amino-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 43697313
N-[3-(bromomethyl)phenyl]oxolane-3-carboxamide
CID 114307353
3-(hydroxymethyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-1-carboxamide
CID 111443078
N-[3-(pyrazol-1-ylmethyl)phenyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 56796288
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
CID 111976294

Frequently Asked Questions

What is the IUPAC name of N-[3-(pyrazol-1-ylmethyl)phenyl]oxane-4-carboxamide?
The IUPAC name of N-[3-(pyrazol-1-ylmethyl)phenyl]oxane-4-carboxamide (CID 39190126) is N-[3-(pyrazol-1-ylmethyl)phenyl]oxane-4-carboxamide.
What is the SMILES notation for N-[3-(pyrazol-1-ylmethyl)phenyl]oxane-4-carboxamide?
The canonical SMILES for N-[3-(pyrazol-1-ylmethyl)phenyl]oxane-4-carboxamide is O=C(Nc1cccc(Cn2cccn2)c1)C1CCOCC1.
What is the InChIKey of N-[3-(pyrazol-1-ylmethyl)phenyl]oxane-4-carboxamide?
The InChIKey is GJYRSHCFTQJDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c20-16(14-5-9-21-10-6-14)18-15-4-1-3-13(11-15)12-19-8-2-7-17-19/h1-4,7-8,11,14H,5-6,9-10,12H2,(H,18,20).
What are the key properties of N-[3-(pyrazol-1-ylmethyl)phenyl]oxane-4-carboxamide?
N-[3-(pyrazol-1-ylmethyl)phenyl]oxane-4-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(pyrazol-1-ylmethyl)phenyl]oxane-4-carboxamide is sourced from PubChem (CID 39190126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).