4-(1-ethylpyrazol-4-yl)oxybutan-1-amine

C9H17N3O — CID 116800659

IUPAC4-(1-ethylpyrazol-4-yl)oxybutan-1-amine
SMILESCCn1cc(OCCCCN)cn1
InChIInChI=1S/C9H17N3O/c1-2-12-8-9(7-11-12)13-6-4-3-5-10/h7-8H,2-6,10H2,1H3
InChIKeyMUHFEPMNLOXKNI-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.02
Rot. Bonds6

About 4-(1-ethylpyrazol-4-yl)oxybutan-1-amine

4-(1-ethylpyrazol-4-yl)oxybutan-1-amine (PubChem CID 116800659) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 4-(1-ethylpyrazol-4-yl)oxybutan-1-amine.

Molecular Properties

Compound Name4-(1-ethylpyrazol-4-yl)oxybutan-1-amine
PubChem CID116800659
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name4-(1-ethylpyrazol-4-yl)oxybutan-1-amine
SMILESCCn1cc(OCCCCN)cn1
InChIInChI=1S/C9H17N3O/c1-2-12-8-9(7-11-12)13-6-4-3-5-10/h7-8H,2-6,10H2,1H3
InChIKeyMUHFEPMNLOXKNI-UHFFFAOYSA-N
XLogP1.02
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-4-hexoxypyrazole
CID 116804751
1-ethyl-4-pent-4-enoxypyrazole
CID 116804504
1-ethyl-4-(3-ethylsulfonylpropoxy)pyrazole
CID 116804432
2-(1-pentylpyrazol-4-yl)oxyethanamine
CID 164576517
5-(1-ethylpyrazol-4-yl)oxy-N-propan-2-ylpentan-1-amine
CID 116803192
1-ethyl-4-[2-(3-methoxypropoxy)ethoxy]pyrazole
CID 103184424
4-[1-(cyclohexylmethyl)pyrazol-4-yl]oxybutan-1-amine
CID 164576556
4-(1-ethylpyrazol-4-yl)oxy-2-methylbutan-2-ol
CID 116802475
methyl 4-(1-ethylpyrazol-4-yl)oxybutanoate
CID 116800049
4-propoxy-1-propylpyrazole
CID 116805185
6-(1-propylpyrazol-4-yl)oxyhexan-1-ol
CID 107705463
1-ethyl-4-[(1-ethylpyrazol-4-yl)methoxy]pyrazole
CID 116804612

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylpyrazol-4-yl)oxybutan-1-amine?
The IUPAC name of 4-(1-ethylpyrazol-4-yl)oxybutan-1-amine (CID 116800659) is 4-(1-ethylpyrazol-4-yl)oxybutan-1-amine.
What is the SMILES notation for 4-(1-ethylpyrazol-4-yl)oxybutan-1-amine?
The canonical SMILES for 4-(1-ethylpyrazol-4-yl)oxybutan-1-amine is CCn1cc(OCCCCN)cn1.
What is the InChIKey of 4-(1-ethylpyrazol-4-yl)oxybutan-1-amine?
The InChIKey is MUHFEPMNLOXKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-2-12-8-9(7-11-12)13-6-4-3-5-10/h7-8H,2-6,10H2,1H3.
What are the key properties of 4-(1-ethylpyrazol-4-yl)oxybutan-1-amine?
4-(1-ethylpyrazol-4-yl)oxybutan-1-amine has a molecular weight of 183.25 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylpyrazol-4-yl)oxybutan-1-amine is sourced from PubChem (CID 116800659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).