N-methyl-4-[(3-pyrazol-1-ylpropylamino)methyl]benzamide

C15H20N4O — CID 115592031

IUPACN-methyl-4-[(3-pyrazol-1-ylpropylamino)methyl]benzamide
SMILESCNC(=O)c1ccc(CNCCCn2cccn2)cc1
InChIInChI=1S/C15H20N4O/c1-16-15(20)14-6-4-13(5-7-14)12-17-8-2-10-19-11-3-9-18-19/h3-7,9,11,17H,2,8,10,12H2,1H3,(H,16,20)
InChIKeyLZQYCEZLYRDNRR-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.42
Rot. Bonds7

About N-methyl-4-[(3-pyrazol-1-ylpropylamino)methyl]benzamide

N-methyl-4-[(3-pyrazol-1-ylpropylamino)methyl]benzamide (PubChem CID 115592031) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-methyl-4-[(3-pyrazol-1-ylpropylamino)methyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[(3-pyrazol-1-ylpropylamino)methyl]benzamide
PubChem CID115592031
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-methyl-4-[(3-pyrazol-1-ylpropylamino)methyl]benzamide
SMILESCNC(=O)c1ccc(CNCCCn2cccn2)cc1
InChIInChI=1S/C15H20N4O/c1-16-15(20)14-6-4-13(5-7-14)12-17-8-2-10-19-11-3-9-18-19/h3-7,9,11,17H,2,8,10,12H2,1H3,(H,16,20)
InChIKeyLZQYCEZLYRDNRR-UHFFFAOYSA-N
XLogP1.42
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-fluorophenyl)methyl]-4-pyrazol-1-ylbutan-1-amine
CID 155449267
4-[(heptylamino)methyl]-N-methylbenzamide
CID 43114052
2-[4-[(3-pyrazol-1-ylpropylamino)methyl]phenoxy]acetamide
CID 115592036
2-fluoro-4-[(3-pyrazol-1-ylpropylamino)methyl]benzoic acid
CID 106700408
N-methyl-3-[[[N'-methyl-N-(3-pyrazol-1-ylpropyl)carbamimidoyl]amino]methyl]benzamide
CID 111903715
3-pyrazol-1-yl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]propan-1-amine
CID 115580174
2-methoxy-5-[(3-pyrazol-1-ylpropylamino)methyl]phenol
CID 86812024
N-(3-pyrazol-1-ylpropyl)pyridine-4-carboxamide
CID 35285072
4-[(2,6-dimethylphenoxy)methyl]-N-(3-pyrazol-1-ylpropyl)benzamide
CID 19332359
N-methyl-4-[[4-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzamide
CID 55814374
4-[(4-pyrazol-1-ylbutanoylamino)methyl]benzoic acid
CID 119353286
5-methyl-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide
CID 37394680

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(3-pyrazol-1-ylpropylamino)methyl]benzamide?
The IUPAC name of N-methyl-4-[(3-pyrazol-1-ylpropylamino)methyl]benzamide (CID 115592031) is N-methyl-4-[(3-pyrazol-1-ylpropylamino)methyl]benzamide.
What is the SMILES notation for N-methyl-4-[(3-pyrazol-1-ylpropylamino)methyl]benzamide?
The canonical SMILES for N-methyl-4-[(3-pyrazol-1-ylpropylamino)methyl]benzamide is CNC(=O)c1ccc(CNCCCn2cccn2)cc1.
What is the InChIKey of N-methyl-4-[(3-pyrazol-1-ylpropylamino)methyl]benzamide?
The InChIKey is LZQYCEZLYRDNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-16-15(20)14-6-4-13(5-7-14)12-17-8-2-10-19-11-3-9-18-19/h3-7,9,11,17H,2,8,10,12H2,1H3,(H,16,20).
What are the key properties of N-methyl-4-[(3-pyrazol-1-ylpropylamino)methyl]benzamide?
N-methyl-4-[(3-pyrazol-1-ylpropylamino)methyl]benzamide has a molecular weight of 272.35 g/mol, XLogP of 1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(3-pyrazol-1-ylpropylamino)methyl]benzamide is sourced from PubChem (CID 115592031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).