5-[[(2-methoxyphenyl)methyl-methylamino]methyl]-1H-pyrazol-3-amine

C13H18N4O — CID 117038777

IUPAC5-[[(2-methoxyphenyl)methyl-methylamino]methyl]-1H-pyrazol-3-amine
SMILESCOc1ccccc1CN(C)Cc1cc(N)n[nH]1
InChIInChI=1S/C13H18N4O/c1-17(9-11-7-13(14)16-15-11)8-10-5-3-4-6-12(10)18-2/h3-7H,8-9H2,1-2H3,(H3,14,15,16)
InChIKeyDJWZKHZTUVTCDL-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.63
Rot. Bonds5

About 5-[[(2-methoxyphenyl)methyl-methylamino]methyl]-1H-pyrazol-3-amine

5-[[(2-methoxyphenyl)methyl-methylamino]methyl]-1H-pyrazol-3-amine (PubChem CID 117038777) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 5-[[(2-methoxyphenyl)methyl-methylamino]methyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[[(2-methoxyphenyl)methyl-methylamino]methyl]-1H-pyrazol-3-amine
PubChem CID117038777
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name5-[[(2-methoxyphenyl)methyl-methylamino]methyl]-1H-pyrazol-3-amine
SMILESCOc1ccccc1CN(C)Cc1cc(N)n[nH]1
InChIInChI=1S/C13H18N4O/c1-17(9-11-7-13(14)16-15-11)8-10-5-3-4-6-12(10)18-2/h3-7H,8-9H2,1-2H3,(H3,14,15,16)
InChIKeyDJWZKHZTUVTCDL-UHFFFAOYSA-N
XLogP1.63
TPSA67.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[[(2-methoxyphenyl)methyl-methylamino]methyl]-1H-pyrazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-[(2-methoxyphenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 64523848
4-amino-2-[[(2-methoxyphenyl)methyl-methylamino]methyl]phenol
CID 61419975
[4-fluoro-2-[[(2-methoxyphenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 64770076
5-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-1H-pyrazol-3-amine
CID 117038750
2-chloro-5-[[(2-methoxyphenyl)methyl-methylamino]methyl]aniline
CID 61420544
5-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-1H-pyrazol-3-amine
CID 117038825
5-[[methyl(pentyl)amino]methyl]-1H-pyrazol-3-amine
CID 117038793
5-[(5-ethyl-2-methoxyphenyl)methyl]-1H-pyrazol-3-amine
CID 82082137
4-N-[(2-methoxyphenyl)methyl]-4-N-methylpyrimidine-4,6-diamine
CID 78929848
1-(2-methoxyphenyl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine
CID 171130117
2-bromo-N-[(2-methoxyphenyl)methyl]-N-methylethanamine
CID 61417709
5-[[3,3-dimethylbutyl(methyl)amino]methyl]-1H-pyrazol-3-amine
CID 117038795

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-methoxyphenyl)methyl-methylamino]methyl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[[(2-methoxyphenyl)methyl-methylamino]methyl]-1H-pyrazol-3-amine (CID 117038777) is 5-[[(2-methoxyphenyl)methyl-methylamino]methyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[[(2-methoxyphenyl)methyl-methylamino]methyl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[[(2-methoxyphenyl)methyl-methylamino]methyl]-1H-pyrazol-3-amine is COc1ccccc1CN(C)Cc1cc(N)n[nH]1.
What is the InChIKey of 5-[[(2-methoxyphenyl)methyl-methylamino]methyl]-1H-pyrazol-3-amine?
The InChIKey is DJWZKHZTUVTCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-17(9-11-7-13(14)16-15-11)8-10-5-3-4-6-12(10)18-2/h3-7H,8-9H2,1-2H3,(H3,14,15,16).
What are the key properties of 5-[[(2-methoxyphenyl)methyl-methylamino]methyl]-1H-pyrazol-3-amine?
5-[[(2-methoxyphenyl)methyl-methylamino]methyl]-1H-pyrazol-3-amine has a molecular weight of 246.31 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-methoxyphenyl)methyl-methylamino]methyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 117038777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).