3-[[methyl-[(3-methyloxetan-3-yl)methyl]amino]methyl]-N-(2-methylpyrazol-3-yl)benzamide

C18H24N4O2 — CID 56719316

IUPAC3-[[methyl-[(3-methyloxetan-3-yl)methyl]amino]methyl]-N-(2-methylpyrazol-3-yl)benzamide
SMILESCN(Cc1cccc(C(=O)Nc2ccnn2C)c1)CC1(C)COC1
InChIInChI=1S/C18H24N4O2/c1-18(12-24-13-18)11-21(2)10-14-5-4-6-15(9-14)17(23)20-16-7-8-19-22(16)3/h4-9H,10-13H2,1-3H3,(H,20,23)
InChIKeyVYSGELBSGBUYFY-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.14
Rot. Bonds6

About 3-[[methyl-[(3-methyloxetan-3-yl)methyl]amino]methyl]-N-(2-methylpyrazol-3-yl)benzamide

3-[[methyl-[(3-methyloxetan-3-yl)methyl]amino]methyl]-N-(2-methylpyrazol-3-yl)benzamide (PubChem CID 56719316) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 3-[[methyl-[(3-methyloxetan-3-yl)methyl]amino]methyl]-N-(2-methylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name3-[[methyl-[(3-methyloxetan-3-yl)methyl]amino]methyl]-N-(2-methylpyrazol-3-yl)benzamide
PubChem CID56719316
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name3-[[methyl-[(3-methyloxetan-3-yl)methyl]amino]methyl]-N-(2-methylpyrazol-3-yl)benzamide
SMILESCN(Cc1cccc(C(=O)Nc2ccnn2C)c1)CC1(C)COC1
InChIInChI=1S/C18H24N4O2/c1-18(12-24-13-18)11-21(2)10-14-5-4-6-15(9-14)17(23)20-16-7-8-19-22(16)3/h4-9H,10-13H2,1-3H3,(H,20,23)
InChIKeyVYSGELBSGBUYFY-UHFFFAOYSA-N
XLogP2.14
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-(1-methyl-1H-pyrazol-3-yl)benzamide
CID 4865337
N,N-dimethyl-5-[(3-methylbenzoyl)amino]-1-phenyl-1H-pyrazole-4-carboxamide
CID 700633
N-(1-benzyl-1H-pyrazol-3-yl)-3-fluorobenzamide
CID 1509639
N-(1-{1-[3-(acetylamino)benzoyl]-4-piperidinyl}-1H-pyrazol-5-yl)-3-methylbutanamide
CID 24790589
N-(1-{1-[4-(trifluoromethyl)benzoyl]-4-piperidinyl}-1H-pyrazol-5-yl)cyclopropanecarboxamide
CID 24791563
N-[2-[1-(3-methoxypropanoyl)piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide
CID 24791631
N-[2-[1-[(1-isopropylpyrazol-4-yl)methyl]-4-piperidyl]pyrazol-3-yl]-2-methyl-benzamide
CID 24791977
N-[2-[1-(1-cyclohex-3-enylmethyl)-4-piperidinyl]-3-pyrazolyl]benzamide
CID 24792982
N-{1-[1-(2,6-difluorobenzoyl)-4-piperidinyl]-1H-pyrazol-5-yl}cyclopropanecarboxamide
CID 24793181
N-{1-[1-(3-cyclohexen-1-ylmethyl)-4-piperidinyl]-1H-pyrazol-5-yl}-2-methylbenzamide
CID 24793873
3-fluoro-N-(1-{1-[(2E)-3-phenyl-2-propen-1-yl]-4-piperidinyl}-1H-pyrazol-5-yl)benzamide
CID 24819214
N-(1-benzylpyrazol-3-yl)-2-(3-methylphenyl)acetamide
CID 145977186

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl-[(3-methyloxetan-3-yl)methyl]amino]methyl]-N-(2-methylpyrazol-3-yl)benzamide?
The IUPAC name of 3-[[methyl-[(3-methyloxetan-3-yl)methyl]amino]methyl]-N-(2-methylpyrazol-3-yl)benzamide (CID 56719316) is 3-[[methyl-[(3-methyloxetan-3-yl)methyl]amino]methyl]-N-(2-methylpyrazol-3-yl)benzamide.
What is the SMILES notation for 3-[[methyl-[(3-methyloxetan-3-yl)methyl]amino]methyl]-N-(2-methylpyrazol-3-yl)benzamide?
The canonical SMILES for 3-[[methyl-[(3-methyloxetan-3-yl)methyl]amino]methyl]-N-(2-methylpyrazol-3-yl)benzamide is CN(Cc1cccc(C(=O)Nc2ccnn2C)c1)CC1(C)COC1.
What is the InChIKey of 3-[[methyl-[(3-methyloxetan-3-yl)methyl]amino]methyl]-N-(2-methylpyrazol-3-yl)benzamide?
The InChIKey is VYSGELBSGBUYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-18(12-24-13-18)11-21(2)10-14-5-4-6-15(9-14)17(23)20-16-7-8-19-22(16)3/h4-9H,10-13H2,1-3H3,(H,20,23).
What are the key properties of 3-[[methyl-[(3-methyloxetan-3-yl)methyl]amino]methyl]-N-(2-methylpyrazol-3-yl)benzamide?
3-[[methyl-[(3-methyloxetan-3-yl)methyl]amino]methyl]-N-(2-methylpyrazol-3-yl)benzamide has a molecular weight of 328.42 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl-[(3-methyloxetan-3-yl)methyl]amino]methyl]-N-(2-methylpyrazol-3-yl)benzamide is sourced from PubChem (CID 56719316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).