N'-(3-methoxypropyl)-N'-methyl-N-(1H-pyrazol-5-ylmethyl)ethane-1,2-diamine

C11H22N4O — CID 115655056

IUPACN'-(3-methoxypropyl)-N'-methyl-N-(1H-pyrazol-5-ylmethyl)ethane-1,2-diamine
SMILESCOCCCN(C)CCNCc1ccn[nH]1
InChIInChI=1S/C11H22N4O/c1-15(7-3-9-16-2)8-6-12-10-11-4-5-13-14-11/h4-5,12H,3,6-10H2,1-2H3,(H,13,14)
InChIKeyNYJBPXSTFIZXDH-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.47
Rot. Bonds9

About N'-(3-methoxypropyl)-N'-methyl-N-(1H-pyrazol-5-ylmethyl)ethane-1,2-diamine

N'-(3-methoxypropyl)-N'-methyl-N-(1H-pyrazol-5-ylmethyl)ethane-1,2-diamine (PubChem CID 115655056) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is N'-(3-methoxypropyl)-N'-methyl-N-(1H-pyrazol-5-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3-methoxypropyl)-N'-methyl-N-(1H-pyrazol-5-ylmethyl)ethane-1,2-diamine
PubChem CID115655056
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC NameN'-(3-methoxypropyl)-N'-methyl-N-(1H-pyrazol-5-ylmethyl)ethane-1,2-diamine
SMILESCOCCCN(C)CCNCc1ccn[nH]1
InChIInChI=1S/C11H22N4O/c1-15(7-3-9-16-2)8-6-12-10-11-4-5-13-14-11/h4-5,12H,3,6-10H2,1-2H3,(H,13,14)
InChIKeyNYJBPXSTFIZXDH-UHFFFAOYSA-N
XLogP0.47
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-(1H-pyrazol-5-ylmethyl)guanidine
CID 111651032
3-propan-2-yloxy-N-(1H-pyrazol-5-ylmethyl)propan-1-amine
CID 43662494
1-(1H-pyrazol-5-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine
CID 61285482
N'-cyclopentyl-N'-methyl-N-(1H-pyrazol-5-ylmethyl)ethane-1,2-diamine
CID 63314803
N-[2-[3-methoxypropyl(methyl)amino]ethyl]-N',N'-dimethylethane-1,2-diamine
CID 63007801
N-(1H-imidazol-5-ylmethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62844313
3-phenoxy-N-(1H-pyrazol-5-ylmethyl)propan-1-amine
CID 55068927
ethyl 4-(1H-pyrazol-5-ylmethylamino)butanoate
CID 64578531
N-(1H-imidazol-5-ylmethyl)-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine;hydrochloride
CID 115607154
N-(3-methoxypropyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine
CID 62560097
ethane;5-(2-methoxyethyl)-1H-pyrazole
CID 170603937
1-[2-(methoxymethyl)phenyl]-N-(1H-pyrazol-5-ylmethyl)methanamine
CID 54861685

Frequently Asked Questions

What is the IUPAC name of N'-(3-methoxypropyl)-N'-methyl-N-(1H-pyrazol-5-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-(3-methoxypropyl)-N'-methyl-N-(1H-pyrazol-5-ylmethyl)ethane-1,2-diamine (CID 115655056) is N'-(3-methoxypropyl)-N'-methyl-N-(1H-pyrazol-5-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(3-methoxypropyl)-N'-methyl-N-(1H-pyrazol-5-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(3-methoxypropyl)-N'-methyl-N-(1H-pyrazol-5-ylmethyl)ethane-1,2-diamine is COCCCN(C)CCNCc1ccn[nH]1.
What is the InChIKey of N'-(3-methoxypropyl)-N'-methyl-N-(1H-pyrazol-5-ylmethyl)ethane-1,2-diamine?
The InChIKey is NYJBPXSTFIZXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O/c1-15(7-3-9-16-2)8-6-12-10-11-4-5-13-14-11/h4-5,12H,3,6-10H2,1-2H3,(H,13,14).
What are the key properties of N'-(3-methoxypropyl)-N'-methyl-N-(1H-pyrazol-5-ylmethyl)ethane-1,2-diamine?
N'-(3-methoxypropyl)-N'-methyl-N-(1H-pyrazol-5-ylmethyl)ethane-1,2-diamine has a molecular weight of 226.32 g/mol, XLogP of 0.47, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methoxypropyl)-N'-methyl-N-(1H-pyrazol-5-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 115655056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).