3-methoxy-N-(1H-pyrazol-5-ylmethyl)propan-1-amine

C8H15N3O — CID 43662446

IUPAC3-methoxy-N-(1H-pyrazol-5-ylmethyl)propan-1-amine
SMILESCOCCCNCc1ccn[nH]1
InChIInChI=1S/C8H15N3O/c1-12-6-2-4-9-7-8-3-5-10-11-8/h3,5,9H,2,4,6-7H2,1H3,(H,10,11)
InChIKeyRUDACTXJKKYECE-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.54
Rot. Bonds6

About 3-methoxy-N-(1H-pyrazol-5-ylmethyl)propan-1-amine

3-methoxy-N-(1H-pyrazol-5-ylmethyl)propan-1-amine (PubChem CID 43662446) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 3-methoxy-N-(1H-pyrazol-5-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-(1H-pyrazol-5-ylmethyl)propan-1-amine
PubChem CID43662446
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name3-methoxy-N-(1H-pyrazol-5-ylmethyl)propan-1-amine
SMILESCOCCCNCc1ccn[nH]1
InChIInChI=1S/C8H15N3O/c1-12-6-2-4-9-7-8-3-5-10-11-8/h3,5,9H,2,4,6-7H2,1H3,(H,10,11)
InChIKeyRUDACTXJKKYECE-UHFFFAOYSA-N
XLogP0.54
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.54
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 3-methoxy-N-(1H-pyrazol-5-ylmethyl)propan-1-amine?
The IUPAC name of 3-methoxy-N-(1H-pyrazol-5-ylmethyl)propan-1-amine (CID 43662446) is 3-methoxy-N-(1H-pyrazol-5-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-methoxy-N-(1H-pyrazol-5-ylmethyl)propan-1-amine?
The canonical SMILES for 3-methoxy-N-(1H-pyrazol-5-ylmethyl)propan-1-amine is COCCCNCc1ccn[nH]1.
What is the InChIKey of 3-methoxy-N-(1H-pyrazol-5-ylmethyl)propan-1-amine?
The InChIKey is RUDACTXJKKYECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-12-6-2-4-9-7-8-3-5-10-11-8/h3,5,9H,2,4,6-7H2,1H3,(H,10,11).
What are the key properties of 3-methoxy-N-(1H-pyrazol-5-ylmethyl)propan-1-amine?
3-methoxy-N-(1H-pyrazol-5-ylmethyl)propan-1-amine has a molecular weight of 169.23 g/mol, XLogP of 0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(1H-pyrazol-5-ylmethyl)propan-1-amine is sourced from PubChem (CID 43662446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).