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

C16H31N3 — CID 105001734

IUPAC1-(1,3-diethylpyrazol-5-yl)-N-ethyl-3-methylhexan-2-amine
SMILESCCCC(C)C(Cc1cc(CC)nn1CC)NCC
InChIInChI=1S/C16H31N3/c1-6-10-13(5)16(17-8-3)12-15-11-14(7-2)18-19(15)9-4/h11,13,16-17H,6-10,12H2,1-5H3
InChIKeyBTQBFHGKLPGAJD-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.42
Rot. Bonds9

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

1-(1,3-diethylpyrazol-5-yl)-N-ethyl-3-methylhexan-2-amine (PubChem CID 105001734) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 1-(1,3-diethylpyrazol-5-yl)-N-ethyl-3-methylhexan-2-amine.

Molecular Properties

Compound Name1-(1,3-diethylpyrazol-5-yl)-N-ethyl-3-methylhexan-2-amine
PubChem CID105001734
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name1-(1,3-diethylpyrazol-5-yl)-N-ethyl-3-methylhexan-2-amine
SMILESCCCC(C)C(Cc1cc(CC)nn1CC)NCC
InChIInChI=1S/C16H31N3/c1-6-10-13(5)16(17-8-3)12-15-11-14(7-2)18-19(15)9-4/h11,13,16-17H,6-10,12H2,1-5H3
InChIKeyBTQBFHGKLPGAJD-UHFFFAOYSA-N
XLogP3.42
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-diethylpyrazol-5-yl)-N,3-diethylpentan-2-amine
CID 105001592
[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)-3-methylsulfonyl-N-propylbutan-2-amine
CID 105001567
4-(1,3-diethylpyrazol-5-yl)-2,3-dimethylbutan-1-amine
CID 81013547
1-(1,3-diethylpyrazol-5-yl)-N-propan-2-ylhexan-2-amine
CID 79412564
1-(1,3-diethylpyrazol-5-yl)-N-methylhexan-2-amine
CID 79404804
1-(1,3-diethylpyrazol-5-yl)-N-methyl-3-methylsulfonylbutan-2-amine
CID 105001704
1-(1,3-diethylpyrazol-5-yl)hexan-2-amine
CID 79411779
2-(1,3-diethylpyrazol-5-yl)-1-(4,5-dimethylthiophen-2-yl)-N-ethylethanamine
CID 105001588
2-(1,3-diethylpyrazol-5-yl)-N-ethyl-1-(3-iodophenyl)ethanamine
CID 105001727

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-diethylpyrazol-5-yl)-N-ethyl-3-methylhexan-2-amine?
The IUPAC name of 1-(1,3-diethylpyrazol-5-yl)-N-ethyl-3-methylhexan-2-amine (CID 105001734) is 1-(1,3-diethylpyrazol-5-yl)-N-ethyl-3-methylhexan-2-amine.
What is the SMILES notation for 1-(1,3-diethylpyrazol-5-yl)-N-ethyl-3-methylhexan-2-amine?
The canonical SMILES for 1-(1,3-diethylpyrazol-5-yl)-N-ethyl-3-methylhexan-2-amine is CCCC(C)C(Cc1cc(CC)nn1CC)NCC.
What is the InChIKey of 1-(1,3-diethylpyrazol-5-yl)-N-ethyl-3-methylhexan-2-amine?
The InChIKey is BTQBFHGKLPGAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-6-10-13(5)16(17-8-3)12-15-11-14(7-2)18-19(15)9-4/h11,13,16-17H,6-10,12H2,1-5H3.
What are the key properties of 1-(1,3-diethylpyrazol-5-yl)-N-ethyl-3-methylhexan-2-amine?
1-(1,3-diethylpyrazol-5-yl)-N-ethyl-3-methylhexan-2-amine has a molecular weight of 265.44 g/mol, XLogP of 3.42, 9 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-ethyl-3-methylhexan-2-amine is sourced from PubChem (CID 105001734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).