3-(3,5-diethylpyrazol-1-yl)-N-ethylbutan-1-amine

C13H25N3 — CID 82694867

IUPAC3-(3,5-diethylpyrazol-1-yl)-N-ethylbutan-1-amine
SMILESCCNCCC(C)n1nc(CC)cc1CC
InChIInChI=1S/C13H25N3/c1-5-12-10-13(6-2)16(15-12)11(4)8-9-14-7-3/h10-11,14H,5-9H2,1-4H3
InChIKeyCGFSEBWBVBVGBM-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.57
Rot. Bonds7

About 3-(3,5-diethylpyrazol-1-yl)-N-ethylbutan-1-amine

3-(3,5-diethylpyrazol-1-yl)-N-ethylbutan-1-amine (PubChem CID 82694867) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 3-(3,5-diethylpyrazol-1-yl)-N-ethylbutan-1-amine.

Molecular Properties

Compound Name3-(3,5-diethylpyrazol-1-yl)-N-ethylbutan-1-amine
PubChem CID82694867
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name3-(3,5-diethylpyrazol-1-yl)-N-ethylbutan-1-amine
SMILESCCNCCC(C)n1nc(CC)cc1CC
InChIInChI=1S/C13H25N3/c1-5-12-10-13(6-2)16(15-12)11(4)8-9-14-7-3/h10-11,14H,5-9H2,1-4H3
InChIKeyCGFSEBWBVBVGBM-UHFFFAOYSA-N
XLogP2.57
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.57
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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Related Compounds

3-(3,5-diethylpyrazol-1-yl)-2-methyl-N-propylbutan-1-amine
CID 82695051
2-(3,5-diethylpyrazol-1-yl)propanehydrazide
CID 82699658
2-(3,5-diethylpyrazol-1-yl)-N-propylpentan-3-amine
CID 82693268
2-(3,5-diethylpyrazol-1-yl)-N-(furan-2-ylmethyl)propan-1-amine
CID 82694425
(2R)-2-(3,5-diethylpyrazol-1-yl)propanoic acid
CID 107427777
methyl (2S)-2-(3,5-diethylpyrazol-1-yl)propanoate
CID 107427779
2-(3,5-diethylpyrazol-1-yl)-N-methylpentan-1-amine
CID 83044068
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-ethylbutan-1-amine
CID 62447877
3-amino-2-(3,5-diethylpyrazol-1-yl)butan-1-ol
CID 82693019
2-(3,5-diethylpyrazol-1-yl)-N-methyl-2-phenylethanamine
CID 82694866
N-[2-(3,5-diethylpyrazol-1-yl)-3-methylbutyl]cyclopropanamine
CID 82694409
4-(3-ethyl-1-methylpyrazol-5-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 81020037

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-diethylpyrazol-1-yl)-N-ethylbutan-1-amine?
The IUPAC name of 3-(3,5-diethylpyrazol-1-yl)-N-ethylbutan-1-amine (CID 82694867) is 3-(3,5-diethylpyrazol-1-yl)-N-ethylbutan-1-amine.
What is the SMILES notation for 3-(3,5-diethylpyrazol-1-yl)-N-ethylbutan-1-amine?
The canonical SMILES for 3-(3,5-diethylpyrazol-1-yl)-N-ethylbutan-1-amine is CCNCCC(C)n1nc(CC)cc1CC.
What is the InChIKey of 3-(3,5-diethylpyrazol-1-yl)-N-ethylbutan-1-amine?
The InChIKey is CGFSEBWBVBVGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-5-12-10-13(6-2)16(15-12)11(4)8-9-14-7-3/h10-11,14H,5-9H2,1-4H3.
What are the key properties of 3-(3,5-diethylpyrazol-1-yl)-N-ethylbutan-1-amine?
3-(3,5-diethylpyrazol-1-yl)-N-ethylbutan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-diethylpyrazol-1-yl)-N-ethylbutan-1-amine is sourced from PubChem (CID 82694867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).