4-(oxolan-2-ylmethoxy)-N-(1H-pyrazol-5-ylmethyl)benzamide

C16H19N3O3 — CID 91641650

IUPAC4-(oxolan-2-ylmethoxy)-N-(1H-pyrazol-5-ylmethyl)benzamide
SMILESO=C(NCc1ccn[nH]1)c1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C16H19N3O3/c20-16(17-10-13-7-8-18-19-13)12-3-5-14(6-4-12)22-11-15-2-1-9-21-15/h3-8,15H,1-2,9-11H2,(H,17,20)(H,18,19)
InChIKeyLWGDEOQIXACBDB-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.90
Rot. Bonds6

About 4-(oxolan-2-ylmethoxy)-N-(1H-pyrazol-5-ylmethyl)benzamide

4-(oxolan-2-ylmethoxy)-N-(1H-pyrazol-5-ylmethyl)benzamide (PubChem CID 91641650) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 4-(oxolan-2-ylmethoxy)-N-(1H-pyrazol-5-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(oxolan-2-ylmethoxy)-N-(1H-pyrazol-5-ylmethyl)benzamide
PubChem CID91641650
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name4-(oxolan-2-ylmethoxy)-N-(1H-pyrazol-5-ylmethyl)benzamide
SMILESO=C(NCc1ccn[nH]1)c1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C16H19N3O3/c20-16(17-10-13-7-8-18-19-13)12-3-5-14(6-4-12)22-11-15-2-1-9-21-15/h3-8,15H,1-2,9-11H2,(H,17,20)(H,18,19)
InChIKeyLWGDEOQIXACBDB-UHFFFAOYSA-N
XLogP1.90
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 86825645
N-(2-amino-2-oxoethyl)-4-[[[4-(oxolan-2-ylmethoxy)benzoyl]amino]methyl]benzamide
CID 46494621
N-[2-(cyclopropanecarbonylamino)ethyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 51153011
4-(oxolan-2-ylmethoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 46560251
N-cycloheptyl-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 2125237
N'-benzoyl-4-[[(2R)-oxolan-2-yl]methoxy]benzohydrazide
CID 2093036
4-[[(2R)-oxolan-2-yl]methoxy]-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide
CID 41412055
4-(oxolan-2-ylmethoxy)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 55585097
N-[(3-bromo-5-fluorophenyl)methyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 55907648
N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]pyridine-4-carboxamide
CID 7447165
N-(3-hydroxy-2-pyridinyl)-4-(oxolan-2-ylmethoxy)benzamide
CID 24818204
N-(2-amino-2-ethylbutyl)-4-(oxolan-2-ylmethoxy)benzamide
CID 119641383

Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-ylmethoxy)-N-(1H-pyrazol-5-ylmethyl)benzamide?
The IUPAC name of 4-(oxolan-2-ylmethoxy)-N-(1H-pyrazol-5-ylmethyl)benzamide (CID 91641650) is 4-(oxolan-2-ylmethoxy)-N-(1H-pyrazol-5-ylmethyl)benzamide.
What is the SMILES notation for 4-(oxolan-2-ylmethoxy)-N-(1H-pyrazol-5-ylmethyl)benzamide?
The canonical SMILES for 4-(oxolan-2-ylmethoxy)-N-(1H-pyrazol-5-ylmethyl)benzamide is O=C(NCc1ccn[nH]1)c1ccc(OCC2CCCO2)cc1.
What is the InChIKey of 4-(oxolan-2-ylmethoxy)-N-(1H-pyrazol-5-ylmethyl)benzamide?
The InChIKey is LWGDEOQIXACBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c20-16(17-10-13-7-8-18-19-13)12-3-5-14(6-4-12)22-11-15-2-1-9-21-15/h3-8,15H,1-2,9-11H2,(H,17,20)(H,18,19).
What are the key properties of 4-(oxolan-2-ylmethoxy)-N-(1H-pyrazol-5-ylmethyl)benzamide?
4-(oxolan-2-ylmethoxy)-N-(1H-pyrazol-5-ylmethyl)benzamide has a molecular weight of 301.35 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-2-ylmethoxy)-N-(1H-pyrazol-5-ylmethyl)benzamide is sourced from PubChem (CID 91641650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).