3-methoxy-N,N-bis(pyrazol-1-ylmethyl)propan-1-amine

C12H19N5O — CID 102144249

IUPAC3-methoxy-N,N-bis(pyrazol-1-ylmethyl)propan-1-amine
SMILESCOCCCN(Cn1cccn1)Cn1cccn1
InChIInChI=1S/C12H19N5O/c1-18-10-4-7-15(11-16-8-2-5-13-16)12-17-9-3-6-14-17/h2-3,5-6,8-9H,4,7,10-12H2,1H3
InChIKeyQFEPZUWNTMEHQZ-UHFFFAOYSA-N
MW249.32 g/mol
LogP1.03
Rot. Bonds8

About 3-methoxy-N,N-bis(pyrazol-1-ylmethyl)propan-1-amine

3-methoxy-N,N-bis(pyrazol-1-ylmethyl)propan-1-amine (PubChem CID 102144249) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 3-methoxy-N,N-bis(pyrazol-1-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-methoxy-N,N-bis(pyrazol-1-ylmethyl)propan-1-amine
PubChem CID102144249
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name3-methoxy-N,N-bis(pyrazol-1-ylmethyl)propan-1-amine
SMILESCOCCCN(Cn1cccn1)Cn1cccn1
InChIInChI=1S/C12H19N5O/c1-18-10-4-7-15(11-16-8-2-5-13-16)12-17-9-3-6-14-17/h2-3,5-6,8-9H,4,7,10-12H2,1H3
InChIKeyQFEPZUWNTMEHQZ-UHFFFAOYSA-N
XLogP1.03
TPSA48.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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CID 3825280
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CID 129074429
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CID 62137166
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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N,N-bis(pyrazol-1-ylmethyl)propan-1-amine?
The IUPAC name of 3-methoxy-N,N-bis(pyrazol-1-ylmethyl)propan-1-amine (CID 102144249) is 3-methoxy-N,N-bis(pyrazol-1-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-methoxy-N,N-bis(pyrazol-1-ylmethyl)propan-1-amine?
The canonical SMILES for 3-methoxy-N,N-bis(pyrazol-1-ylmethyl)propan-1-amine is COCCCN(Cn1cccn1)Cn1cccn1.
What is the InChIKey of 3-methoxy-N,N-bis(pyrazol-1-ylmethyl)propan-1-amine?
The InChIKey is QFEPZUWNTMEHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-18-10-4-7-15(11-16-8-2-5-13-16)12-17-9-3-6-14-17/h2-3,5-6,8-9H,4,7,10-12H2,1H3.
What are the key properties of 3-methoxy-N,N-bis(pyrazol-1-ylmethyl)propan-1-amine?
3-methoxy-N,N-bis(pyrazol-1-ylmethyl)propan-1-amine has a molecular weight of 249.32 g/mol, XLogP of 1.03, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N,N-bis(pyrazol-1-ylmethyl)propan-1-amine is sourced from PubChem (CID 102144249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).