N-[(1-butan-2-yl-3,5-diethylpyrazol-4-yl)methyl]-2-methylpropan-2-amine

C16H31N3 — CID 82697373

IUPACN-[(1-butan-2-yl-3,5-diethylpyrazol-4-yl)methyl]-2-methylpropan-2-amine
SMILESCCc1nn(C(C)CC)c(CC)c1CNC(C)(C)C
InChIInChI=1S/C16H31N3/c1-8-12(4)19-15(10-3)13(14(9-2)18-19)11-17-16(5,6)7/h12,17H,8-11H2,1-7H3
InChIKeyLGMBVEZRIONLPF-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.87
Rot. Bonds6

About N-[(1-butan-2-yl-3,5-diethylpyrazol-4-yl)methyl]-2-methylpropan-2-amine

N-[(1-butan-2-yl-3,5-diethylpyrazol-4-yl)methyl]-2-methylpropan-2-amine (PubChem CID 82697373) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is N-[(1-butan-2-yl-3,5-diethylpyrazol-4-yl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(1-butan-2-yl-3,5-diethylpyrazol-4-yl)methyl]-2-methylpropan-2-amine
PubChem CID82697373
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC NameN-[(1-butan-2-yl-3,5-diethylpyrazol-4-yl)methyl]-2-methylpropan-2-amine
SMILESCCc1nn(C(C)CC)c(CC)c1CNC(C)(C)C
InChIInChI=1S/C16H31N3/c1-8-12(4)19-15(10-3)13(14(9-2)18-19)11-17-16(5,6)7/h12,17H,8-11H2,1-7H3
InChIKeyLGMBVEZRIONLPF-UHFFFAOYSA-N
XLogP3.87
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-butan-2-yl-3,5-diethylpyrazol-4-yl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(1-butan-2-yl-3,5-diethylpyrazol-4-yl)methyl]-2-methylpropan-2-amine (CID 82697373) is N-[(1-butan-2-yl-3,5-diethylpyrazol-4-yl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(1-butan-2-yl-3,5-diethylpyrazol-4-yl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(1-butan-2-yl-3,5-diethylpyrazol-4-yl)methyl]-2-methylpropan-2-amine is CCc1nn(C(C)CC)c(CC)c1CNC(C)(C)C.
What is the InChIKey of N-[(1-butan-2-yl-3,5-diethylpyrazol-4-yl)methyl]-2-methylpropan-2-amine?
The InChIKey is LGMBVEZRIONLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-8-12(4)19-15(10-3)13(14(9-2)18-19)11-17-16(5,6)7/h12,17H,8-11H2,1-7H3.
What are the key properties of N-[(1-butan-2-yl-3,5-diethylpyrazol-4-yl)methyl]-2-methylpropan-2-amine?
N-[(1-butan-2-yl-3,5-diethylpyrazol-4-yl)methyl]-2-methylpropan-2-amine has a molecular weight of 265.44 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-butan-2-yl-3,5-diethylpyrazol-4-yl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 82697373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).