N-[4-(3-methylphenyl)-1-(oxan-2-yl)pyrazol-3-yl]acetamide

C17H21N3O2 — CID 68667821

IUPACN-[4-(3-methylphenyl)-1-(oxan-2-yl)pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1nn(C2CCCCO2)cc1-c1cccc(C)c1
InChIInChI=1S/C17H21N3O2/c1-12-6-5-7-14(10-12)15-11-20(16-8-3-4-9-22-16)19-17(15)18-13(2)21/h5-7,10-11,16H,3-4,8-9H2,1-2H3,(H,18,19,21)
InChIKeyMOAOYSVIPCMMPG-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.52
Rot. Bonds3

About N-[4-(3-methylphenyl)-1-(oxan-2-yl)pyrazol-3-yl]acetamide

N-[4-(3-methylphenyl)-1-(oxan-2-yl)pyrazol-3-yl]acetamide (PubChem CID 68667821) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[4-(3-methylphenyl)-1-(oxan-2-yl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[4-(3-methylphenyl)-1-(oxan-2-yl)pyrazol-3-yl]acetamide
PubChem CID68667821
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-[4-(3-methylphenyl)-1-(oxan-2-yl)pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1nn(C2CCCCO2)cc1-c1cccc(C)c1
InChIInChI=1S/C17H21N3O2/c1-12-6-5-7-14(10-12)15-11-20(16-8-3-4-9-22-16)19-17(15)18-13(2)21/h5-7,10-11,16H,3-4,8-9H2,1-2H3,(H,18,19,21)
InChIKeyMOAOYSVIPCMMPG-UHFFFAOYSA-N
XLogP3.52
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-hydroxy-3-(3-methylphenyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one
CID 136056610
Pyrazole, 1-acetyl-3-(N-ethylacetamido)-4-phenyl-
CID 24844190
N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]oxane-4-carboxamide
CID 51102605
US10617680, Example 187
CID 135355513
3-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-5(4H)-one
CID 1482909
3-[(1-methyl-4-phenylpyrazol-3-yl)carbamoylamino]-N-propylpropanamide
CID 119045047
N-[1-(2-methoxyethyl)pyrazol-3-yl]-N'-methyl-N'-[(3-methylphenyl)methyl]oxamide
CID 126814513
(2S)-3-[ethyl(methyl)amino]-2-methyl-N-[4-methyl-1-[(3-methylphenyl)methyl]pyrazol-5-yl]propanamide
CID 164638423
N-[1-[(2-fluoro-3-methylphenyl)methyl]pyrazol-3-yl]acetamide
CID 68643520
1-(oxan-2-yl)-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 136057531
N-[1-(2-fluoroethyl)-4-phenylpyrazol-5-yl]-3,3-dimethylbutanamide
CID 169169627
1-[1-(Oxan-2-yl)-3-[[2-(trifluoromethyl)phenyl]methylamino]pyrazol-4-yl]ethanone
CID 172811782

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methylphenyl)-1-(oxan-2-yl)pyrazol-3-yl]acetamide?
The IUPAC name of N-[4-(3-methylphenyl)-1-(oxan-2-yl)pyrazol-3-yl]acetamide (CID 68667821) is N-[4-(3-methylphenyl)-1-(oxan-2-yl)pyrazol-3-yl]acetamide.
What is the SMILES notation for N-[4-(3-methylphenyl)-1-(oxan-2-yl)pyrazol-3-yl]acetamide?
The canonical SMILES for N-[4-(3-methylphenyl)-1-(oxan-2-yl)pyrazol-3-yl]acetamide is CC(=O)Nc1nn(C2CCCCO2)cc1-c1cccc(C)c1.
What is the InChIKey of N-[4-(3-methylphenyl)-1-(oxan-2-yl)pyrazol-3-yl]acetamide?
The InChIKey is MOAOYSVIPCMMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12-6-5-7-14(10-12)15-11-20(16-8-3-4-9-22-16)19-17(15)18-13(2)21/h5-7,10-11,16H,3-4,8-9H2,1-2H3,(H,18,19,21).
What are the key properties of N-[4-(3-methylphenyl)-1-(oxan-2-yl)pyrazol-3-yl]acetamide?
N-[4-(3-methylphenyl)-1-(oxan-2-yl)pyrazol-3-yl]acetamide has a molecular weight of 299.37 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methylphenyl)-1-(oxan-2-yl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 68667821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).