1-[4-(methoxymethyl)phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine;hydrochloride

C14H20ClN3O — CID 86808500

IUPAC1-[4-(methoxymethyl)phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine;hydrochloride
SMILESCOCc1ccc(CNCc2cn[nH]c2C)cc1.Cl
InChIInChI=1S/C14H19N3O.ClH/c1-11-14(9-16-17-11)8-15-7-12-3-5-13(6-4-12)10-18-2;/h3-6,9,15H,7-8,10H2,1-2H3,(H,16,17);1H
InChIKeyMAHUUDYASKKOPN-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.58
Rot. Bonds6

About 1-[4-(methoxymethyl)phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine;hydrochloride

1-[4-(methoxymethyl)phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine;hydrochloride (PubChem CID 86808500) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 1-[4-(methoxymethyl)phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine;hydrochloride.

Molecular Properties

Compound Name1-[4-(methoxymethyl)phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine;hydrochloride
PubChem CID86808500
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name1-[4-(methoxymethyl)phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine;hydrochloride
SMILESCOCc1ccc(CNCc2cn[nH]c2C)cc1.Cl
InChIInChI=1S/C14H19N3O.ClH/c1-11-14(9-16-17-11)8-15-7-12-3-5-13(6-4-12)10-18-2;/h3-6,9,15H,7-8,10H2,1-2H3,(H,16,17);1H
InChIKeyMAHUUDYASKKOPN-UHFFFAOYSA-N
XLogP2.58
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[4-(methoxymethyl)phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine;hydrochloride 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

1-(3,4-dimethoxyphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
CID 43435343
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 86776389
1-(3-chloro-4-methoxyphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
CID 65021379
2-(4-methoxyphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine;hydrochloride
CID 132891753
1-(3-methoxy-4-propoxyphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
CID 86776395
1-[4-(imidazol-1-ylmethyl)phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
CID 86808687
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine
CID 60762142
1-(1-ethylpyrrol-3-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
CID 66415561
1-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
CID 86808486
2-(3,4-dimethoxyphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 43663455
3-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]benzenesulfonamide
CID 60857834
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(5-methylthiophen-2-yl)methanamine
CID 60761461

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methoxymethyl)phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine;hydrochloride?
The IUPAC name of 1-[4-(methoxymethyl)phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine;hydrochloride (CID 86808500) is 1-[4-(methoxymethyl)phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine;hydrochloride.
What is the SMILES notation for 1-[4-(methoxymethyl)phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine;hydrochloride?
The canonical SMILES for 1-[4-(methoxymethyl)phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine;hydrochloride is COCc1ccc(CNCc2cn[nH]c2C)cc1.Cl.
What is the InChIKey of 1-[4-(methoxymethyl)phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine;hydrochloride?
The InChIKey is MAHUUDYASKKOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O.ClH/c1-11-14(9-16-17-11)8-15-7-12-3-5-13(6-4-12)10-18-2;/h3-6,9,15H,7-8,10H2,1-2H3,(H,16,17);1H.
What are the key properties of 1-[4-(methoxymethyl)phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine;hydrochloride?
1-[4-(methoxymethyl)phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine;hydrochloride has a molecular weight of 281.79 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methoxymethyl)phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine;hydrochloride is sourced from PubChem (CID 86808500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).