3-methyl-N-[[3-(3-methylphenyl)-1H-pyrazol-5-yl]methyl]oxetane-3-carboxamide

C16H19N3O2 — CID 141430324

IUPAC3-methyl-N-[[3-(3-methylphenyl)-1H-pyrazol-5-yl]methyl]oxetane-3-carboxamide
SMILESCc1cccc(-c2cc(CNC(=O)C3(C)COC3)[nH]n2)c1
InChIInChI=1S/C16H19N3O2/c1-11-4-3-5-12(6-11)14-7-13(18-19-14)8-17-15(20)16(2)9-21-10-16/h3-7H,8-10H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyJOWULGBOQRKSCQ-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.04
Rot. Bonds4

About 3-methyl-N-[[3-(3-methylphenyl)-1H-pyrazol-5-yl]methyl]oxetane-3-carboxamide

3-methyl-N-[[3-(3-methylphenyl)-1H-pyrazol-5-yl]methyl]oxetane-3-carboxamide (PubChem CID 141430324) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-methyl-N-[[3-(3-methylphenyl)-1H-pyrazol-5-yl]methyl]oxetane-3-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[[3-(3-methylphenyl)-1H-pyrazol-5-yl]methyl]oxetane-3-carboxamide
PubChem CID141430324
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name3-methyl-N-[[3-(3-methylphenyl)-1H-pyrazol-5-yl]methyl]oxetane-3-carboxamide
SMILESCc1cccc(-c2cc(CNC(=O)C3(C)COC3)[nH]n2)c1
InChIInChI=1S/C16H19N3O2/c1-11-4-3-5-12(6-11)14-7-13(18-19-14)8-17-15(20)16(2)9-21-10-16/h3-7H,8-10H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyJOWULGBOQRKSCQ-UHFFFAOYSA-N
XLogP2.04
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(3-methylphenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine
CID 62111524
N-[[3-(hydroxymethyl)phenyl]methyl]-3-methyloxetane-3-carboxamide
CID 122559939
3-(3-methylphenyl)-5-[(3-methylphenyl)methyl]-1H-pyrazole
CID 71568660
3-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]oxetane-3-carboxamide
CID 137200750
3-(3-methylphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 83644193
N-[(3-methyloxetan-3-yl)methyl]-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide
CID 99122946
2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]acetamide
CID 91770336
N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]-1-(3-phenyl-1H-pyrazol-5-yl)methanamine
CID 46990087
N-[[3-(3-bromophenyl)-1H-pyrazol-5-yl]methyl]ethanamine
CID 62112177
N'-(3-methylbenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 26823847
N-[(5-fluoro-2-pyridinyl)methyl]-3-methyloxetane-3-carboxamide
CID 126777763
N-(1,3-benzodioxol-5-ylmethyl)-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
CID 3232242

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[3-(3-methylphenyl)-1H-pyrazol-5-yl]methyl]oxetane-3-carboxamide?
The IUPAC name of 3-methyl-N-[[3-(3-methylphenyl)-1H-pyrazol-5-yl]methyl]oxetane-3-carboxamide (CID 141430324) is 3-methyl-N-[[3-(3-methylphenyl)-1H-pyrazol-5-yl]methyl]oxetane-3-carboxamide.
What is the SMILES notation for 3-methyl-N-[[3-(3-methylphenyl)-1H-pyrazol-5-yl]methyl]oxetane-3-carboxamide?
The canonical SMILES for 3-methyl-N-[[3-(3-methylphenyl)-1H-pyrazol-5-yl]methyl]oxetane-3-carboxamide is Cc1cccc(-c2cc(CNC(=O)C3(C)COC3)[nH]n2)c1.
What is the InChIKey of 3-methyl-N-[[3-(3-methylphenyl)-1H-pyrazol-5-yl]methyl]oxetane-3-carboxamide?
The InChIKey is JOWULGBOQRKSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11-4-3-5-12(6-11)14-7-13(18-19-14)8-17-15(20)16(2)9-21-10-16/h3-7H,8-10H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 3-methyl-N-[[3-(3-methylphenyl)-1H-pyrazol-5-yl]methyl]oxetane-3-carboxamide?
3-methyl-N-[[3-(3-methylphenyl)-1H-pyrazol-5-yl]methyl]oxetane-3-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[3-(3-methylphenyl)-1H-pyrazol-5-yl]methyl]oxetane-3-carboxamide is sourced from PubChem (CID 141430324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).