N-[2,2-diethoxy-1-(1-propylpyrazol-4-yl)ethyl]propan-1-amine

C15H29N3O2 — CID 79496393

IUPACN-[2,2-diethoxy-1-(1-propylpyrazol-4-yl)ethyl]propan-1-amine
SMILESCCCNC(c1cnn(CCC)c1)C(OCC)OCC
InChIInChI=1S/C15H29N3O2/c1-5-9-16-14(15(19-7-3)20-8-4)13-11-17-18(12-13)10-6-2/h11-12,14-16H,5-10H2,1-4H3
InChIKeyRAZKSQYUPULPDO-UHFFFAOYSA-N
MW283.42 g/mol
LogP2.73
Rot. Bonds11

About N-[2,2-diethoxy-1-(1-propylpyrazol-4-yl)ethyl]propan-1-amine

N-[2,2-diethoxy-1-(1-propylpyrazol-4-yl)ethyl]propan-1-amine (PubChem CID 79496393) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[2,2-diethoxy-1-(1-propylpyrazol-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2,2-diethoxy-1-(1-propylpyrazol-4-yl)ethyl]propan-1-amine
PubChem CID79496393
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC NameN-[2,2-diethoxy-1-(1-propylpyrazol-4-yl)ethyl]propan-1-amine
SMILESCCCNC(c1cnn(CCC)c1)C(OCC)OCC
InChIInChI=1S/C15H29N3O2/c1-5-9-16-14(15(19-7-3)20-8-4)13-11-17-18(12-13)10-6-2/h11-12,14-16H,5-10H2,1-4H3
InChIKeyRAZKSQYUPULPDO-UHFFFAOYSA-N
XLogP2.73
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2,2-diethoxy-1-(1-propylpyrazol-4-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2,2-diethoxy-1-(1-propylpyrazol-4-yl)ethyl]propan-1-amine (CID 79496393) is N-[2,2-diethoxy-1-(1-propylpyrazol-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2,2-diethoxy-1-(1-propylpyrazol-4-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2,2-diethoxy-1-(1-propylpyrazol-4-yl)ethyl]propan-1-amine is CCCNC(c1cnn(CCC)c1)C(OCC)OCC.
What is the InChIKey of N-[2,2-diethoxy-1-(1-propylpyrazol-4-yl)ethyl]propan-1-amine?
The InChIKey is RAZKSQYUPULPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-5-9-16-14(15(19-7-3)20-8-4)13-11-17-18(12-13)10-6-2/h11-12,14-16H,5-10H2,1-4H3.
What are the key properties of N-[2,2-diethoxy-1-(1-propylpyrazol-4-yl)ethyl]propan-1-amine?
N-[2,2-diethoxy-1-(1-propylpyrazol-4-yl)ethyl]propan-1-amine has a molecular weight of 283.42 g/mol, XLogP of 2.73, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-diethoxy-1-(1-propylpyrazol-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 79496393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).