N-(2-benzylpyrazol-3-yl)-2-(oxolan-2-ylmethoxy)benzamide

C22H23N3O3 — CID 24535045

IUPACN-(2-benzylpyrazol-3-yl)-2-(oxolan-2-ylmethoxy)benzamide
SMILESO=C(Nc1ccnn1Cc1ccccc1)c1ccccc1OCC1CCCO1
InChIInChI=1S/C22H23N3O3/c26-22(19-10-4-5-11-20(19)28-16-18-9-6-14-27-18)24-21-12-13-23-25(21)15-17-7-2-1-3-8-17/h1-5,7-8,10-13,18H,6,9,14-16H2,(H,24,26)
InChIKeyPFVFWWOMACYQJS-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.74
Rot. Bonds7

About N-(2-benzylpyrazol-3-yl)-2-(oxolan-2-ylmethoxy)benzamide

N-(2-benzylpyrazol-3-yl)-2-(oxolan-2-ylmethoxy)benzamide (PubChem CID 24535045) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-(2-benzylpyrazol-3-yl)-2-(oxolan-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-(2-benzylpyrazol-3-yl)-2-(oxolan-2-ylmethoxy)benzamide
PubChem CID24535045
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN-(2-benzylpyrazol-3-yl)-2-(oxolan-2-ylmethoxy)benzamide
SMILESO=C(Nc1ccnn1Cc1ccccc1)c1ccccc1OCC1CCCO1
InChIInChI=1S/C22H23N3O3/c26-22(19-10-4-5-11-20(19)28-16-18-9-6-14-27-18)24-21-12-13-23-25(21)15-17-7-2-1-3-8-17/h1-5,7-8,10-13,18H,6,9,14-16H2,(H,24,26)
InChIKeyPFVFWWOMACYQJS-UHFFFAOYSA-N
XLogP3.74
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-4-(oxolan-2-ylmethoxy)benzamide
CID 55776746
N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-ethoxybenzamide
CID 26725871
2-(oxolan-2-ylmethoxy)-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 46445892
2-methoxy-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 41386282
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(oxolan-2-ylmethoxy)benzamide
CID 42923993
N-(3-carbamoylphenyl)-2-(oxolan-2-ylmethoxy)benzamide
CID 18103402
N-[4-(2-methylpropanoylamino)phenyl]-2-(oxolan-2-ylmethoxy)benzamide
CID 42923990
2-(oxolan-2-ylmethoxy)benzamide
CID 24633130
N-[3-(oxolan-2-ylmethoxy)phenyl]-2-(2-phenylethoxy)benzamide
CID 17141950
N-(3-hydroxypropyl)-2-(oxolan-2-ylmethoxy)benzamide
CID 78854576
2-(oxolan-2-ylmethoxy)-N-prop-2-ynylbenzamide
CID 43047937
N-(2-imidazol-1-ylethyl)-2-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 94018328

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylpyrazol-3-yl)-2-(oxolan-2-ylmethoxy)benzamide?
The IUPAC name of N-(2-benzylpyrazol-3-yl)-2-(oxolan-2-ylmethoxy)benzamide (CID 24535045) is N-(2-benzylpyrazol-3-yl)-2-(oxolan-2-ylmethoxy)benzamide.
What is the SMILES notation for N-(2-benzylpyrazol-3-yl)-2-(oxolan-2-ylmethoxy)benzamide?
The canonical SMILES for N-(2-benzylpyrazol-3-yl)-2-(oxolan-2-ylmethoxy)benzamide is O=C(Nc1ccnn1Cc1ccccc1)c1ccccc1OCC1CCCO1.
What is the InChIKey of N-(2-benzylpyrazol-3-yl)-2-(oxolan-2-ylmethoxy)benzamide?
The InChIKey is PFVFWWOMACYQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c26-22(19-10-4-5-11-20(19)28-16-18-9-6-14-27-18)24-21-12-13-23-25(21)15-17-7-2-1-3-8-17/h1-5,7-8,10-13,18H,6,9,14-16H2,(H,24,26).
What are the key properties of N-(2-benzylpyrazol-3-yl)-2-(oxolan-2-ylmethoxy)benzamide?
N-(2-benzylpyrazol-3-yl)-2-(oxolan-2-ylmethoxy)benzamide has a molecular weight of 377.44 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylpyrazol-3-yl)-2-(oxolan-2-ylmethoxy)benzamide is sourced from PubChem (CID 24535045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).