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

C14H27N3 — CID 79404804

IUPAC1-(1,3-diethylpyrazol-5-yl)-N-methylhexan-2-amine
SMILESCCCCC(Cc1cc(CC)nn1CC)NC
InChIInChI=1S/C14H27N3/c1-5-8-9-13(15-4)11-14-10-12(6-2)16-17(14)7-3/h10,13,15H,5-9,11H2,1-4H3
InChIKeyGYJFTKARJFPBDY-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.79
Rot. Bonds8

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

1-(1,3-diethylpyrazol-5-yl)-N-methylhexan-2-amine (PubChem CID 79404804) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-(1,3-diethylpyrazol-5-yl)-N-methylhexan-2-amine.

Molecular Properties

Compound Name1-(1,3-diethylpyrazol-5-yl)-N-methylhexan-2-amine
PubChem CID79404804
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name1-(1,3-diethylpyrazol-5-yl)-N-methylhexan-2-amine
SMILESCCCCC(Cc1cc(CC)nn1CC)NC
InChIInChI=1S/C14H27N3/c1-5-8-9-13(15-4)11-14-10-12(6-2)16-17(14)7-3/h10,13,15H,5-9,11H2,1-4H3
InChIKeyGYJFTKARJFPBDY-UHFFFAOYSA-N
XLogP2.79
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-diethylpyrazol-5-yl)-N-propan-2-ylhexan-2-amine
CID 79412564
1-(1,3-diethylpyrazol-5-yl)-N-methyl-4-propoxybutan-2-amine
CID 105161582
1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylundecan-2-amine
CID 105002717
1-(1,3-diethylpyrazol-5-yl)hexan-2-amine
CID 79411779
1-(1,3-diethylpyrazol-5-yl)decan-2-ol
CID 115815685
N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)hexan-2-amine
CID 79405999
1-(1,3-diethylpyrazol-5-yl)-3-(1-methoxycyclobutyl)-N-methylpropan-2-amine
CID 103559525
[1-(1,3-diethylpyrazol-5-yl)-3-methylpentan-2-yl]hydrazine
CID 105219741
1-(1,3-diethylpyrazol-5-yl)-N-ethyl-5,5,5-trifluoropentan-2-amine
CID 79953771
[1-(1,3-diethylpyrazol-5-yl)-3-ethoxybutan-2-yl]hydrazine
CID 105222951
1-(1,3-diethylpyrazol-5-yl)-N-ethyl-3-methylhexan-2-amine
CID 105001734
1-(1,3-diethylpyrazol-5-yl)-N-methyl-3-methylsulfonylbutan-2-amine
CID 105001704

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-diethylpyrazol-5-yl)-N-methylhexan-2-amine?
The IUPAC name of 1-(1,3-diethylpyrazol-5-yl)-N-methylhexan-2-amine (CID 79404804) is 1-(1,3-diethylpyrazol-5-yl)-N-methylhexan-2-amine.
What is the SMILES notation for 1-(1,3-diethylpyrazol-5-yl)-N-methylhexan-2-amine?
The canonical SMILES for 1-(1,3-diethylpyrazol-5-yl)-N-methylhexan-2-amine is CCCCC(Cc1cc(CC)nn1CC)NC.
What is the InChIKey of 1-(1,3-diethylpyrazol-5-yl)-N-methylhexan-2-amine?
The InChIKey is GYJFTKARJFPBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-5-8-9-13(15-4)11-14-10-12(6-2)16-17(14)7-3/h10,13,15H,5-9,11H2,1-4H3.
What are the key properties of 1-(1,3-diethylpyrazol-5-yl)-N-methylhexan-2-amine?
1-(1,3-diethylpyrazol-5-yl)-N-methylhexan-2-amine has a molecular weight of 237.39 g/mol, XLogP of 2.79, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-diethylpyrazol-5-yl)-N-methylhexan-2-amine is sourced from PubChem (CID 79404804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).