3-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-[(3S)-oxolan-3-yl]benzamide

C17H21N3O3 — CID 125439283

IUPAC3-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-[(3S)-oxolan-3-yl]benzamide
SMILESCOCc1n[nH]c(C)c1-c1cccc(C(=O)N[C@H]2CCOC2)c1
InChIInChI=1S/C17H21N3O3/c1-11-16(15(10-22-2)20-19-11)12-4-3-5-13(8-12)17(21)18-14-6-7-23-9-14/h3-5,8,14H,6-7,9-10H2,1-2H3,(H,18,21)(H,19,20)/t14-/m0/s1
InChIKeyMUYVWDBXDZJFGY-AWEZNQCLSA-N
MW315.37 g/mol
LogP2.05
Rot. Bonds5

About 3-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-[(3S)-oxolan-3-yl]benzamide

3-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-[(3S)-oxolan-3-yl]benzamide (PubChem CID 125439283) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 3-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-[(3S)-oxolan-3-yl]benzamide.

Molecular Properties

Compound Name3-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-[(3S)-oxolan-3-yl]benzamide
PubChem CID125439283
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name3-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-[(3S)-oxolan-3-yl]benzamide
SMILESCOCc1n[nH]c(C)c1-c1cccc(C(=O)N[C@H]2CCOC2)c1
InChIInChI=1S/C17H21N3O3/c1-11-16(15(10-22-2)20-19-11)12-4-3-5-13(8-12)17(21)18-14-6-7-23-9-14/h3-5,8,14H,6-7,9-10H2,1-2H3,(H,18,21)(H,19,20)/t14-/m0/s1
InChIKeyMUYVWDBXDZJFGY-AWEZNQCLSA-N
XLogP2.05
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-[(3S)-oxolan-3-yl]benzamide?
The IUPAC name of 3-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-[(3S)-oxolan-3-yl]benzamide (CID 125439283) is 3-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-[(3S)-oxolan-3-yl]benzamide.
What is the SMILES notation for 3-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-[(3S)-oxolan-3-yl]benzamide?
The canonical SMILES for 3-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-[(3S)-oxolan-3-yl]benzamide is COCc1n[nH]c(C)c1-c1cccc(C(=O)N[C@H]2CCOC2)c1.
What is the InChIKey of 3-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-[(3S)-oxolan-3-yl]benzamide?
The InChIKey is MUYVWDBXDZJFGY-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-11-16(15(10-22-2)20-19-11)12-4-3-5-13(8-12)17(21)18-14-6-7-23-9-14/h3-5,8,14H,6-7,9-10H2,1-2H3,(H,18,21)(H,19,20)/t14-/m0/s1.
What are the key properties of 3-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-[(3S)-oxolan-3-yl]benzamide?
3-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-[(3S)-oxolan-3-yl]benzamide has a molecular weight of 315.37 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-[(3S)-oxolan-3-yl]benzamide is sourced from PubChem (CID 125439283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).