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

C20H22N4O — CID 49024423

IUPAC4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-(pyridin-2-ylmethyl)benzamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)N(C)Cc3ccccn3)cc2)n1
InChIInChI=1S/C20H22N4O/c1-15-12-16(2)24(22-15)13-17-7-9-18(10-8-17)20(25)23(3)14-19-6-4-5-11-21-19/h4-12H,13-14H2,1-3H3
InChIKeyYFKPIBLNIBSGSY-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.22
Rot. Bonds5

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

4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 49024423) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-(pyridin-2-ylmethyl)benzamide
PubChem CID49024423
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-(pyridin-2-ylmethyl)benzamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)N(C)Cc3ccccn3)cc2)n1
InChIInChI=1S/C20H22N4O/c1-15-12-16(2)24(22-15)13-17-7-9-18(10-8-17)20(25)23(3)14-19-6-4-5-11-21-19/h4-12H,13-14H2,1-3H3
InChIKeyYFKPIBLNIBSGSY-UHFFFAOYSA-N
XLogP3.22
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylbenzamide
CID 19449970
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 95228851
4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 55958656
N-(2,1,3-benzoxadiazol-5-ylmethyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methylbenzamide
CID 56902329
2-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine
CID 12988154
4-amino-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 43564701
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]benzamide
CID 56908077
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 60550448
2-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]-methylamino]-2-methylpropanoic acid
CID 119200513
4-fluoro-N,3-dimethyl-N-(pyridin-2-ylmethyl)benzamide
CID 63212311
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 86839956
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methylbenzamide
CID 56895385

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-(pyridin-2-ylmethyl)benzamide (CID 49024423) is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-(pyridin-2-ylmethyl)benzamide is Cc1cc(C)n(Cc2ccc(C(=O)N(C)Cc3ccccn3)cc2)n1.
What is the InChIKey of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is YFKPIBLNIBSGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-15-12-16(2)24(22-15)13-17-7-9-18(10-8-17)20(25)23(3)14-19-6-4-5-11-21-19/h4-12H,13-14H2,1-3H3.
What are the key properties of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-(pyridin-2-ylmethyl)benzamide?
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 334.42 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 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-methyl-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 49024423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).