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

C18H24N4O — CID 74239674

IUPACN-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(pyrrolidin-1-ylmethyl)benzamide
SMILESCc1cc(CNC(=O)c2ccc(CN3CCCC3)cc2)n(C)n1
InChIInChI=1S/C18H24N4O/c1-14-11-17(21(2)20-14)12-19-18(23)16-7-5-15(6-8-16)13-22-9-3-4-10-22/h5-8,11H,3-4,9-10,12-13H2,1-2H3,(H,19,23)
InChIKeyDAZOYFALZUQLNU-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.25
Rot. Bonds5

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

N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(pyrrolidin-1-ylmethyl)benzamide (PubChem CID 74239674) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(pyrrolidin-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(pyrrolidin-1-ylmethyl)benzamide
PubChem CID74239674
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(pyrrolidin-1-ylmethyl)benzamide
SMILESCc1cc(CNC(=O)c2ccc(CN3CCCC3)cc2)n(C)n1
InChIInChI=1S/C18H24N4O/c1-14-11-17(21(2)20-14)12-19-18(23)16-7-5-15(6-8-16)13-22-9-3-4-10-22/h5-8,11H,3-4,9-10,12-13H2,1-2H3,(H,19,23)
InChIKeyDAZOYFALZUQLNU-UHFFFAOYSA-N
XLogP2.25
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 19294390
N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-methylbenzamide
CID 19294306
4-(piperidin-1-ylmethyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 24654968
N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-nitrobenzamide
CID 19294436
N-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 43918037
4-(piperidin-1-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 17398321
N-[(2,5-dimethylpyrazol-3-yl)methyl]quinoxaline-6-carboxamide
CID 74250263
N-[[4-(hydroxymethyl)phenyl]methyl]-4-(piperidin-1-ylmethyl)benzamide
CID 131952254
N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(2-hydroxyethylsulfamoyl)benzamide
CID 70773821
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(3-piperidin-1-ylpropyl)benzamide
CID 100585329
4-(azepan-1-ylmethyl)-N-propylbenzamide
CID 43924202
3-fluoro-4-methyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 8546489

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(pyrrolidin-1-ylmethyl)benzamide?
The IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(pyrrolidin-1-ylmethyl)benzamide (CID 74239674) is N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(pyrrolidin-1-ylmethyl)benzamide.
What is the SMILES notation for N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(pyrrolidin-1-ylmethyl)benzamide?
The canonical SMILES for N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(pyrrolidin-1-ylmethyl)benzamide is Cc1cc(CNC(=O)c2ccc(CN3CCCC3)cc2)n(C)n1.
What is the InChIKey of N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(pyrrolidin-1-ylmethyl)benzamide?
The InChIKey is DAZOYFALZUQLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-14-11-17(21(2)20-14)12-19-18(23)16-7-5-15(6-8-16)13-22-9-3-4-10-22/h5-8,11H,3-4,9-10,12-13H2,1-2H3,(H,19,23).
What are the key properties of N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(pyrrolidin-1-ylmethyl)benzamide?
N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(pyrrolidin-1-ylmethyl)benzamide has a molecular weight of 312.42 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(pyrrolidin-1-ylmethyl)benzamide is sourced from PubChem (CID 74239674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).