2,2-dimethoxy-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]ethanamine

C14H19N3O2 — CID 63696732

IUPAC2,2-dimethoxy-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]ethanamine
SMILESCOC(CNCc1ccc(-c2ccn[nH]2)cc1)OC
InChIInChI=1S/C14H19N3O2/c1-18-14(19-2)10-15-9-11-3-5-12(6-4-11)13-7-8-16-17-13/h3-8,14-15H,9-10H2,1-2H3,(H,16,17)
InChIKeyNRTMVVXJMXCTBC-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.79
Rot. Bonds7

About 2,2-dimethoxy-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]ethanamine

2,2-dimethoxy-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]ethanamine (PubChem CID 63696732) has the molecular formula C14H19N3O2 and a molecular weight of 261.33 g/mol. Its IUPAC name is 2,2-dimethoxy-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name2,2-dimethoxy-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]ethanamine
PubChem CID63696732
Molecular FormulaC14H19N3O2
Molecular Weight261.33 g/mol
Exact Mass261.15
IUPAC Name2,2-dimethoxy-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]ethanamine
SMILESCOC(CNCc1ccc(-c2ccn[nH]2)cc1)OC
InChIInChI=1S/C14H19N3O2/c1-18-14(19-2)10-15-9-11-3-5-12(6-4-11)13-7-8-16-17-13/h3-8,14-15H,9-10H2,1-2H3,(H,16,17)
InChIKeyNRTMVVXJMXCTBC-UHFFFAOYSA-N
XLogP1.79
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(2,2-dimethoxyethyl)-4-(1H-pyrazol-5-yl)aniline
CID 63697596
3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butan-1-amine
CID 61241369
2,2-dimethoxy-N-(pyridin-4-ylmethyl)ethanamine
CID 60663243
1-cyclopropyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]methanamine
CID 61241563
N-[(4-tert-butylphenyl)methyl]-2,2-dimethoxyethanamine
CID 44668483
4-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pentan-2-amine
CID 61241748
N-[(1-ethylpyrrol-3-yl)methyl]-1-[4-(1H-pyrazol-5-yl)phenyl]methanamine
CID 66414199
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[4-(1H-pyrazol-5-yl)phenyl]methanamine
CID 61240789
N-[[4-(1H-pyrazol-5-yl)phenyl]methylsulfamoyl]propan-2-amine
CID 114810007
2-[[[4-(1H-pyrazol-5-yl)phenyl]methylamino]methyl]aniline
CID 66418255
1-[(2S)-2-hydroxy-3-methoxypropyl]-1-methyl-3-[[4-(1H-pyrazol-5-yl)phenyl]methyl]urea
CID 95134453
2-cyclopropyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide
CID 79506463

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxy-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]ethanamine?
The IUPAC name of 2,2-dimethoxy-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]ethanamine (CID 63696732) is 2,2-dimethoxy-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]ethanamine.
What is the SMILES notation for 2,2-dimethoxy-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]ethanamine?
The canonical SMILES for 2,2-dimethoxy-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]ethanamine is COC(CNCc1ccc(-c2ccn[nH]2)cc1)OC.
What is the InChIKey of 2,2-dimethoxy-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]ethanamine?
The InChIKey is NRTMVVXJMXCTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-18-14(19-2)10-15-9-11-3-5-12(6-4-11)13-7-8-16-17-13/h3-8,14-15H,9-10H2,1-2H3,(H,16,17).
What are the key properties of 2,2-dimethoxy-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]ethanamine?
2,2-dimethoxy-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]ethanamine has a molecular weight of 261.33 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxy-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]ethanamine is sourced from PubChem (CID 63696732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).