N-[[3,5-diethyl-1-(3-methylbutyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine

C17H33N3 — CID 82698283

IUPACN-[[3,5-diethyl-1-(3-methylbutyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCCc1nn(CCC(C)C)c(CC)c1CNCC(C)C
InChIInChI=1S/C17H33N3/c1-7-16-15(12-18-11-14(5)6)17(8-2)20(19-16)10-9-13(3)4/h13-14,18H,7-12H2,1-6H3
InChIKeyGJDCVEPLOVGXKS-UHFFFAOYSA-N
MW279.47 g/mol
LogP3.80
Rot. Bonds9

About N-[[3,5-diethyl-1-(3-methylbutyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine

N-[[3,5-diethyl-1-(3-methylbutyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine (PubChem CID 82698283) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is N-[[3,5-diethyl-1-(3-methylbutyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3,5-diethyl-1-(3-methylbutyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine
PubChem CID82698283
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC NameN-[[3,5-diethyl-1-(3-methylbutyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCCc1nn(CCC(C)C)c(CC)c1CNCC(C)C
InChIInChI=1S/C17H33N3/c1-7-16-15(12-18-11-14(5)6)17(8-2)20(19-16)10-9-13(3)4/h13-14,18H,7-12H2,1-6H3
InChIKeyGJDCVEPLOVGXKS-UHFFFAOYSA-N
XLogP3.80
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3,5-diethyl-1-(4-methylpentyl)pyrazol-4-yl]methanamine
CID 83168953
N-[[3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]methyl]ethanamine
CID 82697029
N-[[3,5-diethyl-1-(oxan-3-yl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 107137537
N-[(1,3,5-triethylpyrazol-4-yl)methyl]propan-2-amine
CID 82698359
N-[[3,5-diethyl-1-[2-(2-methylpropoxy)ethyl]pyrazol-4-yl]methyl]propan-2-amine
CID 106457431
N-[[1-[2-(dimethylamino)ethyl]-3,5-diethylpyrazol-4-yl]methyl]propan-1-amine
CID 107431118
N-[[3,5-diethyl-1-(3-methoxypropyl)pyrazol-4-yl]methyl]ethanamine
CID 82697711
1-[3,5-diethyl-1-(4-methylpentyl)pyrazol-4-yl]butan-2-amine
CID 83167967
N-[[3,5-diethyl-1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methyl]propan-1-amine
CID 82697464
N-[[3,5-diethyl-1-(4,4,4-trifluorobutyl)pyrazol-4-yl]methyl]ethanamine
CID 82697239
N-[[3,5-diethyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-yl]methyl]ethanamine
CID 116617995
N-[[3,5-diethyl-1-(2-ethylbutyl)pyrazol-4-yl]methyl]propan-1-amine
CID 82924251

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-diethyl-1-(3-methylbutyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[3,5-diethyl-1-(3-methylbutyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine (CID 82698283) is N-[[3,5-diethyl-1-(3-methylbutyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[3,5-diethyl-1-(3-methylbutyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[3,5-diethyl-1-(3-methylbutyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine is CCc1nn(CCC(C)C)c(CC)c1CNCC(C)C.
What is the InChIKey of N-[[3,5-diethyl-1-(3-methylbutyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is GJDCVEPLOVGXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-7-16-15(12-18-11-14(5)6)17(8-2)20(19-16)10-9-13(3)4/h13-14,18H,7-12H2,1-6H3.
What are the key properties of N-[[3,5-diethyl-1-(3-methylbutyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine?
N-[[3,5-diethyl-1-(3-methylbutyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 279.47 g/mol, XLogP of 3.80, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-diethyl-1-(3-methylbutyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 82698283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).