5-(1H-pyrazol-5-yloxy)pentan-1-amine;hydrochloride

C8H16ClN3O — CID 164885817

IUPAC5-(1H-pyrazol-5-yloxy)pentan-1-amine;hydrochloride
SMILESCl.NCCCCCOc1ccn[nH]1
InChIInChI=1S/C8H15N3O.ClH/c9-5-2-1-3-7-12-8-4-6-10-11-8;/h4,6H,1-3,5,7,9H2,(H,10,11);1H
InChIKeyCCFGKSGZAVXFMS-UHFFFAOYSA-N
MW205.69 g/mol
LogP1.34
Rot. Bonds6

About 5-(1H-pyrazol-5-yloxy)pentan-1-amine;hydrochloride

5-(1H-pyrazol-5-yloxy)pentan-1-amine;hydrochloride (PubChem CID 164885817) has the molecular formula C8H16ClN3O and a molecular weight of 205.69 g/mol. Its IUPAC name is 5-(1H-pyrazol-5-yloxy)pentan-1-amine;hydrochloride.

Molecular Properties

Compound Name5-(1H-pyrazol-5-yloxy)pentan-1-amine;hydrochloride
PubChem CID164885817
Molecular FormulaC8H16ClN3O
Molecular Weight205.69 g/mol
Exact Mass205.10
IUPAC Name5-(1H-pyrazol-5-yloxy)pentan-1-amine;hydrochloride
SMILESCl.NCCCCCOc1ccn[nH]1
InChIInChI=1S/C8H15N3O.ClH/c9-5-2-1-3-7-12-8-4-6-10-11-8;/h4,6H,1-3,5,7,9H2,(H,10,11);1H
InChIKeyCCFGKSGZAVXFMS-UHFFFAOYSA-N
XLogP1.34
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.69
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-pyrazol-5-yloxy)pentan-1-amine;hydrochloride?
The IUPAC name of 5-(1H-pyrazol-5-yloxy)pentan-1-amine;hydrochloride (CID 164885817) is 5-(1H-pyrazol-5-yloxy)pentan-1-amine;hydrochloride.
What is the SMILES notation for 5-(1H-pyrazol-5-yloxy)pentan-1-amine;hydrochloride?
The canonical SMILES for 5-(1H-pyrazol-5-yloxy)pentan-1-amine;hydrochloride is Cl.NCCCCCOc1ccn[nH]1.
What is the InChIKey of 5-(1H-pyrazol-5-yloxy)pentan-1-amine;hydrochloride?
The InChIKey is CCFGKSGZAVXFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O.ClH/c9-5-2-1-3-7-12-8-4-6-10-11-8;/h4,6H,1-3,5,7,9H2,(H,10,11);1H.
What are the key properties of 5-(1H-pyrazol-5-yloxy)pentan-1-amine;hydrochloride?
5-(1H-pyrazol-5-yloxy)pentan-1-amine;hydrochloride has a molecular weight of 205.69 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-pyrazol-5-yloxy)pentan-1-amine;hydrochloride is sourced from PubChem (CID 164885817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).