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

C9H18N4O — CID 103387849

IUPAC5-methoxy-4-N-(1H-pyrazol-4-yl)pentane-1,4-diamine
SMILESCOCC(CCCN)Nc1cn[nH]c1
InChIInChI=1S/C9H18N4O/c1-14-7-8(3-2-4-10)13-9-5-11-12-6-9/h5-6,8,13H,2-4,7,10H2,1H3,(H,11,12)
InChIKeyWRZUJPXAGQMQIG-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.58
Rot. Bonds7

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

5-methoxy-4-N-(1H-pyrazol-4-yl)pentane-1,4-diamine (PubChem CID 103387849) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is 5-methoxy-4-N-(1H-pyrazol-4-yl)pentane-1,4-diamine.

Molecular Properties

Compound Name5-methoxy-4-N-(1H-pyrazol-4-yl)pentane-1,4-diamine
PubChem CID103387849
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC Name5-methoxy-4-N-(1H-pyrazol-4-yl)pentane-1,4-diamine
SMILESCOCC(CCCN)Nc1cn[nH]c1
InChIInChI=1S/C9H18N4O/c1-14-7-8(3-2-4-10)13-9-5-11-12-6-9/h5-6,8,13H,2-4,7,10H2,1H3,(H,11,12)
InChIKeyWRZUJPXAGQMQIG-UHFFFAOYSA-N
XLogP0.58
TPSA75.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-pentyl-1H-pyrazol-4-amine
CID 43539843
N-(oxan-4-yl)-1H-pyrazol-4-amine
CID 43608645
N-(oxan-2-yl)-1H-pyrazol-4-amine
CID 69410298
(2-Methoxy-ethyl)-(1h-pyrazol-4-yl)-amine
CID 83814687
N-(2-methoxyethyl)-N-methyl-1H-pyrazol-4-amine
CID 175775371
N-(4-methoxy-4-methylpentan-2-yl)-1H-pyrazol-4-amine
CID 43539814
N-hexyl-1H-pyrazol-4-amine
CID 43539816
N-heptan-2-yl-1H-pyrazol-4-amine
CID 43539852
N-pentan-2-yl-1H-pyrazol-4-amine
CID 43539911
N-hexan-2-yl-1H-pyrazol-4-amine
CID 43776865
N-(2-methoxycyclohexyl)-1H-pyrazol-4-amine
CID 43776920
N-(4-methoxybutan-2-yl)-1H-pyrazol-4-amine
CID 61864391

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-N-(1H-pyrazol-4-yl)pentane-1,4-diamine?
The IUPAC name of 5-methoxy-4-N-(1H-pyrazol-4-yl)pentane-1,4-diamine (CID 103387849) is 5-methoxy-4-N-(1H-pyrazol-4-yl)pentane-1,4-diamine.
What is the SMILES notation for 5-methoxy-4-N-(1H-pyrazol-4-yl)pentane-1,4-diamine?
The canonical SMILES for 5-methoxy-4-N-(1H-pyrazol-4-yl)pentane-1,4-diamine is COCC(CCCN)Nc1cn[nH]c1.
What is the InChIKey of 5-methoxy-4-N-(1H-pyrazol-4-yl)pentane-1,4-diamine?
The InChIKey is WRZUJPXAGQMQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O/c1-14-7-8(3-2-4-10)13-9-5-11-12-6-9/h5-6,8,13H,2-4,7,10H2,1H3,(H,11,12).
What are the key properties of 5-methoxy-4-N-(1H-pyrazol-4-yl)pentane-1,4-diamine?
5-methoxy-4-N-(1H-pyrazol-4-yl)pentane-1,4-diamine has a molecular weight of 198.27 g/mol, XLogP of 0.58, 7 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-yl)pentane-1,4-diamine is sourced from PubChem (CID 103387849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).