N-(oxolan-2-ylmethyl)-3-(1H-pyrazol-4-yl)benzamide

C15H17N3O2 — CID 110486700

IUPACN-(oxolan-2-ylmethyl)-3-(1H-pyrazol-4-yl)benzamide
SMILESO=C(NCC1CCCO1)c1cccc(-c2cn[nH]c2)c1
InChIInChI=1S/C15H17N3O2/c19-15(16-10-14-5-2-6-20-14)12-4-1-3-11(7-12)13-8-17-18-9-13/h1,3-4,7-9,14H,2,5-6,10H2,(H,16,19)(H,17,18)
InChIKeyGIGRNHMRRHPHCD-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.99
Rot. Bonds4

About N-(oxolan-2-ylmethyl)-3-(1H-pyrazol-4-yl)benzamide

N-(oxolan-2-ylmethyl)-3-(1H-pyrazol-4-yl)benzamide (PubChem CID 110486700) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-3-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-3-(1H-pyrazol-4-yl)benzamide
PubChem CID110486700
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-(oxolan-2-ylmethyl)-3-(1H-pyrazol-4-yl)benzamide
SMILESO=C(NCC1CCCO1)c1cccc(-c2cn[nH]c2)c1
InChIInChI=1S/C15H17N3O2/c19-15(16-10-14-5-2-6-20-14)12-4-1-3-11(7-12)13-8-17-18-9-13/h1,3-4,7-9,14H,2,5-6,10H2,(H,16,19)(H,17,18)
InChIKeyGIGRNHMRRHPHCD-UHFFFAOYSA-N
XLogP1.99
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methylsulfonylmorpholin-2-yl)methyl]-3-(1H-pyrazol-4-yl)benzamide
CID 74237959
3-(6-methoxy-3-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 126446000
3-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide
CID 122559676
3-[6-(cyclopentylamino)pyridazin-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 125436416
N-[[(2R)-oxolan-2-yl]methyl]-3-thiophen-2-ylbenzamide
CID 7316196
N-[[(2S)-oxolan-2-yl]methyl]-3-(6-phenoxypyrimidin-4-yl)benzamide
CID 95053292
3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 669434
3-N-cyclopropyl-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109050678
3-nitro-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 966750
3-(1-methyltetrazol-5-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 75767622
3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 110372204
N-(3-cyclohexyloxypropyl)-3-(1H-pyrazol-4-yl)benzamide
CID 74240489

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-3-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-3-(1H-pyrazol-4-yl)benzamide (CID 110486700) is N-(oxolan-2-ylmethyl)-3-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-3-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-3-(1H-pyrazol-4-yl)benzamide is O=C(NCC1CCCO1)c1cccc(-c2cn[nH]c2)c1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-3-(1H-pyrazol-4-yl)benzamide?
The InChIKey is GIGRNHMRRHPHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c19-15(16-10-14-5-2-6-20-14)12-4-1-3-11(7-12)13-8-17-18-9-13/h1,3-4,7-9,14H,2,5-6,10H2,(H,16,19)(H,17,18).
What are the key properties of N-(oxolan-2-ylmethyl)-3-(1H-pyrazol-4-yl)benzamide?
N-(oxolan-2-ylmethyl)-3-(1H-pyrazol-4-yl)benzamide has a molecular weight of 271.32 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-3-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 110486700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).