3-propan-2-yloxy-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine

C15H22N4O — CID 43771400

IUPAC3-propan-2-yloxy-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
SMILESCC(C)OCCCNCc1cn[nH]c1-c1cccnc1
InChIInChI=1S/C15H22N4O/c1-12(2)20-8-4-7-17-10-14-11-18-19-15(14)13-5-3-6-16-9-13/h3,5-6,9,11-12,17H,4,7-8,10H2,1-2H3,(H,18,19)
InChIKeyFBGPEOXSUCPEPY-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.38
Rot. Bonds8

About 3-propan-2-yloxy-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine

3-propan-2-yloxy-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine (PubChem CID 43771400) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 3-propan-2-yloxy-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-propan-2-yloxy-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
PubChem CID43771400
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name3-propan-2-yloxy-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
SMILESCC(C)OCCCNCc1cn[nH]c1-c1cccnc1
InChIInChI=1S/C15H22N4O/c1-12(2)20-8-4-7-17-10-14-11-18-19-15(14)13-5-3-6-16-9-13/h3,5-6,9,11-12,17H,4,7-8,10H2,1-2H3,(H,18,19)
InChIKeyFBGPEOXSUCPEPY-UHFFFAOYSA-N
XLogP2.38
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-propan-2-yloxy-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine?
The IUPAC name of 3-propan-2-yloxy-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine (CID 43771400) is 3-propan-2-yloxy-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-propan-2-yloxy-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for 3-propan-2-yloxy-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine is CC(C)OCCCNCc1cn[nH]c1-c1cccnc1.
What is the InChIKey of 3-propan-2-yloxy-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine?
The InChIKey is FBGPEOXSUCPEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-12(2)20-8-4-7-17-10-14-11-18-19-15(14)13-5-3-6-16-9-13/h3,5-6,9,11-12,17H,4,7-8,10H2,1-2H3,(H,18,19).
What are the key properties of 3-propan-2-yloxy-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine?
3-propan-2-yloxy-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine has a molecular weight of 274.37 g/mol, XLogP of 2.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxy-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 43771400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).