3-methoxy-1-N-methyl-1-N-[(1-methylpyrazol-3-yl)methyl]propane-1,2-diamine

C10H20N4O — CID 82870860

IUPAC3-methoxy-1-N-methyl-1-N-[(1-methylpyrazol-3-yl)methyl]propane-1,2-diamine
SMILESCOCC(N)CN(C)Cc1ccn(C)n1
InChIInChI=1S/C10H20N4O/c1-13(6-9(11)8-15-3)7-10-4-5-14(2)12-10/h4-5,9H,6-8,11H2,1-3H3
InChIKeyOWLJPSDEMNTLFA-UHFFFAOYSA-N
MW212.30 g/mol
LogP-0.17
Rot. Bonds6

About 3-methoxy-1-N-methyl-1-N-[(1-methylpyrazol-3-yl)methyl]propane-1,2-diamine

3-methoxy-1-N-methyl-1-N-[(1-methylpyrazol-3-yl)methyl]propane-1,2-diamine (PubChem CID 82870860) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is 3-methoxy-1-N-methyl-1-N-[(1-methylpyrazol-3-yl)methyl]propane-1,2-diamine.

Molecular Properties

Compound Name3-methoxy-1-N-methyl-1-N-[(1-methylpyrazol-3-yl)methyl]propane-1,2-diamine
PubChem CID82870860
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC Name3-methoxy-1-N-methyl-1-N-[(1-methylpyrazol-3-yl)methyl]propane-1,2-diamine
SMILESCOCC(N)CN(C)Cc1ccn(C)n1
InChIInChI=1S/C10H20N4O/c1-13(6-9(11)8-15-3)7-10-4-5-14(2)12-10/h4-5,9H,6-8,11H2,1-3H3
InChIKeyOWLJPSDEMNTLFA-UHFFFAOYSA-N
XLogP-0.17
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methoxy-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 82876471
methyl 2-methyl-3-[methyl-[(1-methylpyrazol-3-yl)methyl]amino]propanoate
CID 82853966
1-methyl-1-[(1-methylpyrazol-3-yl)methyl]hydrazine
CID 123416642
2-[methyl-[(1-methylpyrazol-3-yl)methyl]amino]ethanethioamide
CID 82866933
3-[methyl-[(1-methylpyrazol-3-yl)methyl]amino]propanethioamide
CID 82866501
3-methoxy-1-N-methyl-1-N-(thiophen-3-ylmethyl)propane-1,2-diamine
CID 81101740
1-methoxy-N-methyl-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 82876638
1-(1-methylpyrazol-3-yl)hexan-3-amine
CID 82869047
1-N-[(3-bromophenyl)methyl]-3-methoxy-1-N-methylpropane-1,2-diamine
CID 81102377
5-bromo-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]pentan-1-amine
CID 107204808
3-methoxy-1-N-methyl-1-N-[(2-methylquinolin-4-yl)methyl]propane-1,2-diamine
CID 79240798
1-methoxy-4-(1-propan-2-ylpyrazol-3-yl)butan-2-amine
CID 64771323

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-N-methyl-1-N-[(1-methylpyrazol-3-yl)methyl]propane-1,2-diamine?
The IUPAC name of 3-methoxy-1-N-methyl-1-N-[(1-methylpyrazol-3-yl)methyl]propane-1,2-diamine (CID 82870860) is 3-methoxy-1-N-methyl-1-N-[(1-methylpyrazol-3-yl)methyl]propane-1,2-diamine.
What is the SMILES notation for 3-methoxy-1-N-methyl-1-N-[(1-methylpyrazol-3-yl)methyl]propane-1,2-diamine?
The canonical SMILES for 3-methoxy-1-N-methyl-1-N-[(1-methylpyrazol-3-yl)methyl]propane-1,2-diamine is COCC(N)CN(C)Cc1ccn(C)n1.
What is the InChIKey of 3-methoxy-1-N-methyl-1-N-[(1-methylpyrazol-3-yl)methyl]propane-1,2-diamine?
The InChIKey is OWLJPSDEMNTLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c1-13(6-9(11)8-15-3)7-10-4-5-14(2)12-10/h4-5,9H,6-8,11H2,1-3H3.
What are the key properties of 3-methoxy-1-N-methyl-1-N-[(1-methylpyrazol-3-yl)methyl]propane-1,2-diamine?
3-methoxy-1-N-methyl-1-N-[(1-methylpyrazol-3-yl)methyl]propane-1,2-diamine has a molecular weight of 212.30 g/mol, XLogP of -0.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-N-methyl-1-N-[(1-methylpyrazol-3-yl)methyl]propane-1,2-diamine is sourced from PubChem (CID 82870860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).