2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-propylpropan-1-amine

C13H25N3 — CID 62442336

IUPAC2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-propylpropan-1-amine
SMILESCCCNCC(C)n1nc(C)c(CC)c1C
InChIInChI=1S/C13H25N3/c1-6-8-14-9-10(3)16-12(5)13(7-2)11(4)15-16/h10,14H,6-9H2,1-5H3
InChIKeyFAXUPKDGFLUHLB-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.62
Rot. Bonds6

About 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-propylpropan-1-amine

2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-propylpropan-1-amine (PubChem CID 62442336) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-propylpropan-1-amine
PubChem CID62442336
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-propylpropan-1-amine
SMILESCCCNCC(C)n1nc(C)c(CC)c1C
InChIInChI=1S/C13H25N3/c1-6-8-14-9-10(3)16-12(5)13(7-2)11(4)15-16/h10,14H,6-9H2,1-5H3
InChIKeyFAXUPKDGFLUHLB-UHFFFAOYSA-N
XLogP2.62
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.62
H-Bond Donors ≤ 51
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 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-propylpropan-1-amine?
The IUPAC name of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-propylpropan-1-amine (CID 62442336) is 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-propylpropan-1-amine?
The canonical SMILES for 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-propylpropan-1-amine is CCCNCC(C)n1nc(C)c(CC)c1C.
What is the InChIKey of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-propylpropan-1-amine?
The InChIKey is FAXUPKDGFLUHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-6-8-14-9-10(3)16-12(5)13(7-2)11(4)15-16/h10,14H,6-9H2,1-5H3.
What are the key properties of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-propylpropan-1-amine?
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-propylpropan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 62442336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).