5-methoxy-4-N-(1H-pyrazol-4-ylmethyl)pentane-1,4-diamine

C10H20N4O — CID 103389358

IUPAC5-methoxy-4-N-(1H-pyrazol-4-ylmethyl)pentane-1,4-diamine
SMILESCOCC(CCCN)NCc1cn[nH]c1
InChIInChI=1S/C10H20N4O/c1-15-8-10(3-2-4-11)12-5-9-6-13-14-7-9/h6-7,10,12H,2-5,8,11H2,1H3,(H,13,14)
InChIKeyZLYUSNCWWPAGOG-UHFFFAOYSA-N
MW212.30 g/mol
LogP0.25
Rot. Bonds8

About 5-methoxy-4-N-(1H-pyrazol-4-ylmethyl)pentane-1,4-diamine

5-methoxy-4-N-(1H-pyrazol-4-ylmethyl)pentane-1,4-diamine (PubChem CID 103389358) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is 5-methoxy-4-N-(1H-pyrazol-4-ylmethyl)pentane-1,4-diamine.

Molecular Properties

Compound Name5-methoxy-4-N-(1H-pyrazol-4-ylmethyl)pentane-1,4-diamine
PubChem CID103389358
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC Name5-methoxy-4-N-(1H-pyrazol-4-ylmethyl)pentane-1,4-diamine
SMILESCOCC(CCCN)NCc1cn[nH]c1
InChIInChI=1S/C10H20N4O/c1-15-8-10(3-2-4-11)12-5-9-6-13-14-7-9/h6-7,10,12H,2-5,8,11H2,1H3,(H,13,14)
InChIKeyZLYUSNCWWPAGOG-UHFFFAOYSA-N
XLogP0.25
TPSA75.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-4-N-(1H-pyrazol-4-yl)pentane-1,4-diamine
CID 103387849
5-methoxy-4-N-(1,3-thiazol-2-ylmethyl)pentane-1,4-diamine
CID 103389503
N-(1H-pyrazol-4-ylmethyl)propan-2-amine
CID 61000273
5-methoxy-4-N-[(2-methylpyrazol-3-yl)methyl]pentane-1,4-diamine
CID 103389928
5-methoxy-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentane-1,4-diamine
CID 103389917
5-methoxy-4-N-[(1-methylpyrazol-3-yl)methyl]pentane-1,4-diamine
CID 103390731
4-N-(4-fluorophenyl)-5-methoxypentane-1,4-diamine
CID 103387248
5-methoxy-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pentane-1,4-diamine
CID 106391800
4-N-[(5-chlorothiophen-2-yl)methyl]-5-methoxypentane-1,4-diamine
CID 103390035
5-methoxy-4-N-[2-(2-methoxyethoxy)ethyl]pentane-1,4-diamine
CID 103389661
4-(3-methoxypropyl)-1H-pyrazole
CID 90951720
5-methoxy-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentane-1,4-diamine
CID 106396139

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-N-(1H-pyrazol-4-ylmethyl)pentane-1,4-diamine?
The IUPAC name of 5-methoxy-4-N-(1H-pyrazol-4-ylmethyl)pentane-1,4-diamine (CID 103389358) is 5-methoxy-4-N-(1H-pyrazol-4-ylmethyl)pentane-1,4-diamine.
What is the SMILES notation for 5-methoxy-4-N-(1H-pyrazol-4-ylmethyl)pentane-1,4-diamine?
The canonical SMILES for 5-methoxy-4-N-(1H-pyrazol-4-ylmethyl)pentane-1,4-diamine is COCC(CCCN)NCc1cn[nH]c1.
What is the InChIKey of 5-methoxy-4-N-(1H-pyrazol-4-ylmethyl)pentane-1,4-diamine?
The InChIKey is ZLYUSNCWWPAGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c1-15-8-10(3-2-4-11)12-5-9-6-13-14-7-9/h6-7,10,12H,2-5,8,11H2,1H3,(H,13,14).
What are the key properties of 5-methoxy-4-N-(1H-pyrazol-4-ylmethyl)pentane-1,4-diamine?
5-methoxy-4-N-(1H-pyrazol-4-ylmethyl)pentane-1,4-diamine has a molecular weight of 212.30 g/mol, XLogP of 0.25, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-N-(1H-pyrazol-4-ylmethyl)pentane-1,4-diamine is sourced from PubChem (CID 103389358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).