4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methylpiperidin-3-yl)benzamide

C19H26N4O — CID 120575807

IUPAC4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methylpiperidin-3-yl)benzamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)NC3CCCNC3C)cc2)n1
InChIInChI=1S/C19H26N4O/c1-13-11-14(2)23(22-13)12-16-6-8-17(9-7-16)19(24)21-18-5-4-10-20-15(18)3/h6-9,11,15,18,20H,4-5,10,12H2,1-3H3,(H,21,24)
InChIKeyGMDKXRJUTXKOKY-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.42
Rot. Bonds4

About 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methylpiperidin-3-yl)benzamide

4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methylpiperidin-3-yl)benzamide (PubChem CID 120575807) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methylpiperidin-3-yl)benzamide.

Molecular Properties

Compound Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methylpiperidin-3-yl)benzamide
PubChem CID120575807
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methylpiperidin-3-yl)benzamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)NC3CCCNC3C)cc2)n1
InChIInChI=1S/C19H26N4O/c1-13-11-14(2)23(22-13)12-16-6-8-17(9-7-16)19(24)21-18-5-4-10-20-15(18)3/h6-9,11,15,18,20H,4-5,10,12H2,1-3H3,(H,21,24)
InChIKeyGMDKXRJUTXKOKY-UHFFFAOYSA-N
XLogP2.42
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylpiperidin-3-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 120577841
4-(3,5-dimethylpyrazol-1-yl)-3-fluoro-N-(2-methylpiperidin-3-yl)benzamide
CID 120576981
cis-(1S,3R)-3-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120676160
N-(4-aminocyclohexyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 119474893
1-benzyl-5-methyl-N-(2-methylpiperidin-3-yl)pyrazole-4-carboxamide
CID 120577133
N-[(2R,3R)-2-methylpiperidin-3-yl]benzamide
CID 124511336
4-[[ethyl(propan-2-yl)amino]methyl]-N-(2-methylpiperidin-3-yl)benzamide;dihydrochloride
CID 120576871
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(2-methylsulfanylethyl)piperidin-4-yl]benzamide
CID 131915877
N-(2-methylpiperidin-3-yl)-1,3-dioxo-2-(pyridin-4-ylmethyl)isoindole-5-carboxamide;dihydrochloride
CID 120575696
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]benzamide
CID 42239963
1-benzyl-N-(2-methylpiperidin-3-yl)pyrazole-4-carboxamide;hydrochloride
CID 120574286
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-pyridin-4-ylbenzamide
CID 49016835

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methylpiperidin-3-yl)benzamide?
The IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methylpiperidin-3-yl)benzamide (CID 120575807) is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methylpiperidin-3-yl)benzamide.
What is the SMILES notation for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methylpiperidin-3-yl)benzamide?
The canonical SMILES for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methylpiperidin-3-yl)benzamide is Cc1cc(C)n(Cc2ccc(C(=O)NC3CCCNC3C)cc2)n1.
What is the InChIKey of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methylpiperidin-3-yl)benzamide?
The InChIKey is GMDKXRJUTXKOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-13-11-14(2)23(22-13)12-16-6-8-17(9-7-16)19(24)21-18-5-4-10-20-15(18)3/h6-9,11,15,18,20H,4-5,10,12H2,1-3H3,(H,21,24).
What are the key properties of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methylpiperidin-3-yl)benzamide?
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methylpiperidin-3-yl)benzamide has a molecular weight of 326.44 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methylpiperidin-3-yl)benzamide is sourced from PubChem (CID 120575807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).