2-(3,5-diethylpyrazol-1-yl)-N-methylpentan-1-amine

C13H25N3 — CID 83044068

IUPAC2-(3,5-diethylpyrazol-1-yl)-N-methylpentan-1-amine
SMILESCCCC(CNC)n1nc(CC)cc1CC
InChIInChI=1S/C13H25N3/c1-5-8-13(10-14-4)16-12(7-3)9-11(6-2)15-16/h9,13-14H,5-8,10H2,1-4H3
InChIKeyURPZKHRQLWZSMY-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.57
Rot. Bonds7

About 2-(3,5-diethylpyrazol-1-yl)-N-methylpentan-1-amine

2-(3,5-diethylpyrazol-1-yl)-N-methylpentan-1-amine (PubChem CID 83044068) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-(3,5-diethylpyrazol-1-yl)-N-methylpentan-1-amine.

Molecular Properties

Compound Name2-(3,5-diethylpyrazol-1-yl)-N-methylpentan-1-amine
PubChem CID83044068
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name2-(3,5-diethylpyrazol-1-yl)-N-methylpentan-1-amine
SMILESCCCC(CNC)n1nc(CC)cc1CC
InChIInChI=1S/C13H25N3/c1-5-8-13(10-14-4)16-12(7-3)9-11(6-2)15-16/h9,13-14H,5-8,10H2,1-4H3
InChIKeyURPZKHRQLWZSMY-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

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Related Compounds

2-(3,5-diethylpyrazol-1-yl)-N-methyl-2-phenylethanamine
CID 82694866
3-(3,5-diethylpyrazol-1-yl)-2-methyl-N-propylbutan-1-amine
CID 82695051
(2R)-2-(3,5-diethylpyrazol-1-yl)propanoic acid
CID 107427777
3-(3,5-diethylpyrazol-1-yl)-N-ethylbutan-1-amine
CID 82694867
3,5-diethyl-1-propylpyrazole
CID 82699697
2-(3,5-diethylpyrazol-1-yl)-N-propylpentan-3-amine
CID 82693268
methyl (2S)-2-(3,5-diethylpyrazol-1-yl)propanoate
CID 107427779
1-(1,3-diethylpyrazol-5-yl)-3-methyl-4-(methylamino)butan-2-one
CID 116586963
N-[2-(3,5-diethylpyrazol-1-yl)-3-methylbutyl]cyclopropanamine
CID 82694409
2-(3,5-diethylpyrazol-1-yl)propanehydrazide
CID 82699658
2-(3,5-diethylpyrazol-1-yl)-N'-hydroxybutanimidamide
CID 82695392
1-(3,5-diethylpyrazol-1-yl)butan-2-ol
CID 82694356

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diethylpyrazol-1-yl)-N-methylpentan-1-amine?
The IUPAC name of 2-(3,5-diethylpyrazol-1-yl)-N-methylpentan-1-amine (CID 83044068) is 2-(3,5-diethylpyrazol-1-yl)-N-methylpentan-1-amine.
What is the SMILES notation for 2-(3,5-diethylpyrazol-1-yl)-N-methylpentan-1-amine?
The canonical SMILES for 2-(3,5-diethylpyrazol-1-yl)-N-methylpentan-1-amine is CCCC(CNC)n1nc(CC)cc1CC.
What is the InChIKey of 2-(3,5-diethylpyrazol-1-yl)-N-methylpentan-1-amine?
The InChIKey is URPZKHRQLWZSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-5-8-13(10-14-4)16-12(7-3)9-11(6-2)15-16/h9,13-14H,5-8,10H2,1-4H3.
What are the key properties of 2-(3,5-diethylpyrazol-1-yl)-N-methylpentan-1-amine?
2-(3,5-diethylpyrazol-1-yl)-N-methylpentan-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 2-(3,5-diethylpyrazol-1-yl)-N-methylpentan-1-amine is sourced from PubChem (CID 83044068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).