5-methoxy-4-N-[(2-methylpyrazol-3-yl)methyl]pentane-1,4-diamine

C11H22N4O — CID 103389928

IUPAC5-methoxy-4-N-[(2-methylpyrazol-3-yl)methyl]pentane-1,4-diamine
SMILESCOCC(CCCN)NCc1ccnn1C
InChIInChI=1S/C11H22N4O/c1-15-11(5-7-14-15)8-13-10(9-16-2)4-3-6-12/h5,7,10,13H,3-4,6,8-9,12H2,1-2H3
InChIKeyVKRANVGWFJTLJF-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.26
Rot. Bonds8

About 5-methoxy-4-N-[(2-methylpyrazol-3-yl)methyl]pentane-1,4-diamine

5-methoxy-4-N-[(2-methylpyrazol-3-yl)methyl]pentane-1,4-diamine (PubChem CID 103389928) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is 5-methoxy-4-N-[(2-methylpyrazol-3-yl)methyl]pentane-1,4-diamine.

Molecular Properties

Compound Name5-methoxy-4-N-[(2-methylpyrazol-3-yl)methyl]pentane-1,4-diamine
PubChem CID103389928
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC Name5-methoxy-4-N-[(2-methylpyrazol-3-yl)methyl]pentane-1,4-diamine
SMILESCOCC(CCCN)NCc1ccnn1C
InChIInChI=1S/C11H22N4O/c1-15-11(5-7-14-15)8-13-10(9-16-2)4-3-6-12/h5,7,10,13H,3-4,6,8-9,12H2,1-2H3
InChIKeyVKRANVGWFJTLJF-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-[(1-methylpyrazol-3-yl)methyl]pentane-1,4-diamine
CID 103390731
4-methoxy-3-[2-(2-methylpyrazol-3-yl)ethylamino]butan-1-ol
CID 106159828
5-methoxy-4-N-(1,3-thiazol-2-ylmethyl)pentane-1,4-diamine
CID 103389503
4-N-[(5-chlorothiophen-2-yl)methyl]-5-methoxypentane-1,4-diamine
CID 103390035
4-methoxy-3-[(2-propylpyrazol-3-yl)methylamino]butan-1-ol
CID 114151438
5-methoxy-4-N-(1H-pyrazol-4-ylmethyl)pentane-1,4-diamine
CID 103389358
5-methoxy-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pentane-1,4-diamine
CID 106391800
N-(1-methoxyhexan-2-yl)-2-methylpyrazol-3-amine
CID 115921274
2-amino-4-methoxy-N-[(2-methylpyrazol-3-yl)methyl]butanamide
CID 63302394
(3S)-N-[(2-methylpyrazol-3-yl)methyl]hept-6-en-3-amine
CID 97229982
4-N-(4-fluorophenyl)-5-methoxypentane-1,4-diamine
CID 103387248
1-(4-methylphenoxy)-N-[(2-methylpyrazol-3-yl)methyl]propan-2-amine
CID 61168691

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-N-[(2-methylpyrazol-3-yl)methyl]pentane-1,4-diamine?
The IUPAC name of 5-methoxy-4-N-[(2-methylpyrazol-3-yl)methyl]pentane-1,4-diamine (CID 103389928) is 5-methoxy-4-N-[(2-methylpyrazol-3-yl)methyl]pentane-1,4-diamine.
What is the SMILES notation for 5-methoxy-4-N-[(2-methylpyrazol-3-yl)methyl]pentane-1,4-diamine?
The canonical SMILES for 5-methoxy-4-N-[(2-methylpyrazol-3-yl)methyl]pentane-1,4-diamine is COCC(CCCN)NCc1ccnn1C.
What is the InChIKey of 5-methoxy-4-N-[(2-methylpyrazol-3-yl)methyl]pentane-1,4-diamine?
The InChIKey is VKRANVGWFJTLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O/c1-15-11(5-7-14-15)8-13-10(9-16-2)4-3-6-12/h5,7,10,13H,3-4,6,8-9,12H2,1-2H3.
What are the key properties of 5-methoxy-4-N-[(2-methylpyrazol-3-yl)methyl]pentane-1,4-diamine?
5-methoxy-4-N-[(2-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-[(2-methylpyrazol-3-yl)methyl]pentane-1,4-diamine is sourced from PubChem (CID 103389928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).