4-(aminomethyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzamide

C15H20N4O — CID 115988977

IUPAC4-(aminomethyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzamide
SMILESCCc1nn(C)cc1CNC(=O)c1ccc(CN)cc1
InChIInChI=1S/C15H20N4O/c1-3-14-13(10-19(2)18-14)9-17-15(20)12-6-4-11(8-16)5-7-12/h4-7,10H,3,8-9,16H2,1-2H3,(H,17,20)
InChIKeyWPKHOBNPIGIQLG-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.37
Rot. Bonds5

About 4-(aminomethyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzamide

4-(aminomethyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzamide (PubChem CID 115988977) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzamide
PubChem CID115988977
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name4-(aminomethyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzamide
SMILESCCc1nn(C)cc1CNC(=O)c1ccc(CN)cc1
InChIInChI=1S/C15H20N4O/c1-3-14-13(10-19(2)18-14)9-17-15(20)12-6-4-11(8-16)5-7-12/h4-7,10H,3,8-9,16H2,1-2H3,(H,17,20)
InChIKeyWPKHOBNPIGIQLG-UHFFFAOYSA-N
XLogP1.37
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(aminomethyl)phenyl]-3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]urea
CID 115991069
2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylbenzamide
CID 115988891
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1H-indole-5-carboxamide
CID 115887135
2-(aminomethyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4,4-dimethylpentanamide
CID 107472643
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(3-hydroxyphenyl)acetamide
CID 115888763
N-[[4-(aminomethyl)phenyl]methyl]-4-ethylbenzamide
CID 60918762
1-(aminomethyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 112668695
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-hydroxy-2-methylbenzamide
CID 103899206
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-fluoro-3-methylbenzamide
CID 115887147
2-(ethylamino)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyridine-4-carboxamide
CID 115888757
3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,1-dimethylurea
CID 115887051
5-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl]thiophene-2-carboxylic acid
CID 115991451

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of 4-(aminomethyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzamide (CID 115988977) is 4-(aminomethyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 4-(aminomethyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzamide is CCc1nn(C)cc1CNC(=O)c1ccc(CN)cc1.
What is the InChIKey of 4-(aminomethyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzamide?
The InChIKey is WPKHOBNPIGIQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-3-14-13(10-19(2)18-14)9-17-15(20)12-6-4-11(8-16)5-7-12/h4-7,10H,3,8-9,16H2,1-2H3,(H,17,20).
What are the key properties of 4-(aminomethyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzamide?
4-(aminomethyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzamide has a molecular weight of 272.35 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 115988977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).