N-[[4-(aminomethyl)phenyl]methyl]-2-pyrazol-1-ylacetamide

C13H16N4O — CID 81090478

IUPACN-[[4-(aminomethyl)phenyl]methyl]-2-pyrazol-1-ylacetamide
SMILESNCc1ccc(CNC(=O)Cn2cccn2)cc1
InChIInChI=1S/C13H16N4O/c14-8-11-2-4-12(5-3-11)9-15-13(18)10-17-7-1-6-16-17/h1-7H,8-10,14H2,(H,15,18)
InChIKeyMXXPVUZNDOJTKY-UHFFFAOYSA-N
MW244.30 g/mol
LogP0.66
Rot. Bonds5

About N-[[4-(aminomethyl)phenyl]methyl]-2-pyrazol-1-ylacetamide

N-[[4-(aminomethyl)phenyl]methyl]-2-pyrazol-1-ylacetamide (PubChem CID 81090478) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is N-[[4-(aminomethyl)phenyl]methyl]-2-pyrazol-1-ylacetamide.

Molecular Properties

Compound NameN-[[4-(aminomethyl)phenyl]methyl]-2-pyrazol-1-ylacetamide
PubChem CID81090478
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC NameN-[[4-(aminomethyl)phenyl]methyl]-2-pyrazol-1-ylacetamide
SMILESNCc1ccc(CNC(=O)Cn2cccn2)cc1
InChIInChI=1S/C13H16N4O/c14-8-11-2-4-12(5-3-11)9-15-13(18)10-17-7-1-6-16-17/h1-7H,8-10,14H2,(H,15,18)
InChIKeyMXXPVUZNDOJTKY-UHFFFAOYSA-N
XLogP0.66
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(aminomethyl)phenyl]methyl]-3-pyrazol-1-ylpropanamide
CID 81089925
2-[4-(aminomethyl)pyrazol-1-yl]-N-benzylacetamide
CID 63253915
N-[(2-chlorophenyl)methyl]-2-pyrazol-1-ylacetamide
CID 39724151
2-methylsulfanyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 47125027
2-[4-(aminomethyl)phenyl]-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]acetamide
CID 166337815
N-[[4-(aminomethyl)phenyl]methyl]-2-(4-hydroxyphenyl)acetamide
CID 81090221
N-[[4-(aminomethyl)phenyl]methyl]-2-(4-phenylphenyl)acetamide
CID 71584523
2-(4-aminopyrazol-1-yl)-N-benzylacetamide
CID 28973852
4-[(4-pyrazol-1-ylbutanoylamino)methyl]benzoic acid
CID 119353286
N-[[4-(aminomethyl)phenyl]methyl]-2-(4-methylphenyl)acetamide
CID 60917944
3,3-diphenyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]propanamide
CID 52719151
N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2-pyrazol-1-ylacetamide
CID 53499617

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-2-pyrazol-1-ylacetamide?
The IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-2-pyrazol-1-ylacetamide (CID 81090478) is N-[[4-(aminomethyl)phenyl]methyl]-2-pyrazol-1-ylacetamide.
What is the SMILES notation for N-[[4-(aminomethyl)phenyl]methyl]-2-pyrazol-1-ylacetamide?
The canonical SMILES for N-[[4-(aminomethyl)phenyl]methyl]-2-pyrazol-1-ylacetamide is NCc1ccc(CNC(=O)Cn2cccn2)cc1.
What is the InChIKey of N-[[4-(aminomethyl)phenyl]methyl]-2-pyrazol-1-ylacetamide?
The InChIKey is MXXPVUZNDOJTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c14-8-11-2-4-12(5-3-11)9-15-13(18)10-17-7-1-6-16-17/h1-7H,8-10,14H2,(H,15,18).
What are the key properties of N-[[4-(aminomethyl)phenyl]methyl]-2-pyrazol-1-ylacetamide?
N-[[4-(aminomethyl)phenyl]methyl]-2-pyrazol-1-ylacetamide has a molecular weight of 244.30 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)phenyl]methyl]-2-pyrazol-1-ylacetamide is sourced from PubChem (CID 81090478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).