5-methoxy-4-N-[(1-methylpyrazol-3-yl)methyl]pentane-1,4-diamine

C11H22N4O — CID 103390731

IUPAC5-methoxy-4-N-[(1-methylpyrazol-3-yl)methyl]pentane-1,4-diamine
SMILESCOCC(CCCN)NCc1ccn(C)n1
InChIInChI=1S/C11H22N4O/c1-15-7-5-10(14-15)8-13-11(9-16-2)4-3-6-12/h5,7,11,13H,3-4,6,8-9,12H2,1-2H3
InChIKeyRIUOKQJXQWGTSU-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.26
Rot. Bonds8

About 5-methoxy-4-N-[(1-methylpyrazol-3-yl)methyl]pentane-1,4-diamine

5-methoxy-4-N-[(1-methylpyrazol-3-yl)methyl]pentane-1,4-diamine (PubChem CID 103390731) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is 5-methoxy-4-N-[(1-methylpyrazol-3-yl)methyl]pentane-1,4-diamine.

Molecular Properties

Compound Name5-methoxy-4-N-[(1-methylpyrazol-3-yl)methyl]pentane-1,4-diamine
PubChem CID103390731
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC Name5-methoxy-4-N-[(1-methylpyrazol-3-yl)methyl]pentane-1,4-diamine
SMILESCOCC(CCCN)NCc1ccn(C)n1
InChIInChI=1S/C11H22N4O/c1-15-7-5-10(14-15)8-13-11(9-16-2)4-3-6-12/h5,7,11,13H,3-4,6,8-9,12H2,1-2H3
InChIKeyRIUOKQJXQWGTSU-UHFFFAOYSA-N
XLogP0.26
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-4-N-[(2-methylpyrazol-3-yl)methyl]pentane-1,4-diamine
CID 103389928
1-methoxy-N-methyl-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 82876638
4-chloro-1-methoxy-N-[(1-propan-2-ylpyrazol-3-yl)methyl]butan-2-amine
CID 106152849
5-methoxy-4-N-(1,3-thiazol-2-ylmethyl)pentane-1,4-diamine
CID 103389503
5-methoxy-4-N-(1H-pyrazol-4-ylmethyl)pentane-1,4-diamine
CID 103389358
4-N-[(5-chlorothiophen-2-yl)methyl]-5-methoxypentane-1,4-diamine
CID 103390035
1-methoxy-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 82876471
N-[(1-methylpyrazol-3-yl)methyl]-1-methylsulfanylbutan-2-amine
CID 115899941
(1S)-1-(4-methoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 82867137
N-(3-methoxypropyl)-2-[(1-methylpyrazol-3-yl)methylamino]propanamide
CID 82882044
5-methoxy-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentane-1,4-diamine
CID 103389917
3-methyl-N-[(1-methylpyrazol-3-yl)methyl]butan-2-amine
CID 78920945

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-N-[(1-methylpyrazol-3-yl)methyl]pentane-1,4-diamine?
The IUPAC name of 5-methoxy-4-N-[(1-methylpyrazol-3-yl)methyl]pentane-1,4-diamine (CID 103390731) is 5-methoxy-4-N-[(1-methylpyrazol-3-yl)methyl]pentane-1,4-diamine.
What is the SMILES notation for 5-methoxy-4-N-[(1-methylpyrazol-3-yl)methyl]pentane-1,4-diamine?
The canonical SMILES for 5-methoxy-4-N-[(1-methylpyrazol-3-yl)methyl]pentane-1,4-diamine is COCC(CCCN)NCc1ccn(C)n1.
What is the InChIKey of 5-methoxy-4-N-[(1-methylpyrazol-3-yl)methyl]pentane-1,4-diamine?
The InChIKey is RIUOKQJXQWGTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O/c1-15-7-5-10(14-15)8-13-11(9-16-2)4-3-6-12/h5,7,11,13H,3-4,6,8-9,12H2,1-2H3.
What are the key properties of 5-methoxy-4-N-[(1-methylpyrazol-3-yl)methyl]pentane-1,4-diamine?
5-methoxy-4-N-[(1-methylpyrazol-3-yl)methyl]pentane-1,4-diamine has a molecular weight of 226.32 g/mol, XLogP of 0.26, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-N-[(1-methylpyrazol-3-yl)methyl]pentane-1,4-diamine is sourced from PubChem (CID 103390731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).