3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[[(2S)-oxan-2-yl]methyl]benzamide

C19H25N3O2 — CID 95595180

IUPAC3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[[(2S)-oxan-2-yl]methyl]benzamide
SMILESCc1cc(C)n(Cc2cccc(C(=O)NC[C@@H]3CCCCO3)c2)n1
InChIInChI=1S/C19H25N3O2/c1-14-10-15(2)22(21-14)13-16-6-5-7-17(11-16)19(23)20-12-18-8-3-4-9-24-18/h5-7,10-11,18H,3-4,8-9,12-13H2,1-2H3,(H,20,23)/t18-/m0/s1
InChIKeyATEAGVUADOBYFT-SFHVURJKSA-N
MW327.43 g/mol
LogP2.85
Rot. Bonds5

About 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[[(2S)-oxan-2-yl]methyl]benzamide

3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[[(2S)-oxan-2-yl]methyl]benzamide (PubChem CID 95595180) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[[(2S)-oxan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[[(2S)-oxan-2-yl]methyl]benzamide
PubChem CID95595180
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[[(2S)-oxan-2-yl]methyl]benzamide
SMILESCc1cc(C)n(Cc2cccc(C(=O)NC[C@@H]3CCCCO3)c2)n1
InChIInChI=1S/C19H25N3O2/c1-14-10-15(2)22(21-14)13-16-6-5-7-17(11-16)19(23)20-12-18-8-3-4-9-24-18/h5-7,10-11,18H,3-4,8-9,12-13H2,1-2H3,(H,20,23)/t18-/m0/s1
InChIKeyATEAGVUADOBYFT-SFHVURJKSA-N
XLogP2.85
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide
CID 19465995
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1,1-dioxothiolan-3-yl)methyl]benzamide
CID 51128124
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 119456634
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 111331403
4-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 42906161
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 19292552
3-amino-N-(oxan-2-ylmethyl)benzamide
CID 55013985
5-[[[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226807
[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[(2S)-2-methylpiperidin-1-yl]methanone
CID 95155111
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide
CID 111661556
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 51098490
[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-morpholin-4-ylmethanone
CID 35324290

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[[(2S)-oxan-2-yl]methyl]benzamide?
The IUPAC name of 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[[(2S)-oxan-2-yl]methyl]benzamide (CID 95595180) is 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[[(2S)-oxan-2-yl]methyl]benzamide.
What is the SMILES notation for 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[[(2S)-oxan-2-yl]methyl]benzamide?
The canonical SMILES for 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[[(2S)-oxan-2-yl]methyl]benzamide is Cc1cc(C)n(Cc2cccc(C(=O)NC[C@@H]3CCCCO3)c2)n1.
What is the InChIKey of 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[[(2S)-oxan-2-yl]methyl]benzamide?
The InChIKey is ATEAGVUADOBYFT-SFHVURJKSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-14-10-15(2)22(21-14)13-16-6-5-7-17(11-16)19(23)20-12-18-8-3-4-9-24-18/h5-7,10-11,18H,3-4,8-9,12-13H2,1-2H3,(H,20,23)/t18-/m0/s1.
What are the key properties of 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[[(2S)-oxan-2-yl]methyl]benzamide?
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[[(2S)-oxan-2-yl]methyl]benzamide has a molecular weight of 327.43 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[[(2S)-oxan-2-yl]methyl]benzamide is sourced from PubChem (CID 95595180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).