[3,5-diethyl-1-(4-methylpentyl)pyrazol-4-yl]methanamine

C14H27N3 — CID 83168953

IUPAC[3,5-diethyl-1-(4-methylpentyl)pyrazol-4-yl]methanamine
SMILESCCc1nn(CCCC(C)C)c(CC)c1CN
InChIInChI=1S/C14H27N3/c1-5-13-12(10-15)14(6-2)17(16-13)9-7-8-11(3)4/h11H,5-10,15H2,1-4H3
InChIKeyVVQCNQFPMLELMO-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.90
Rot. Bonds7

About [3,5-diethyl-1-(4-methylpentyl)pyrazol-4-yl]methanamine

[3,5-diethyl-1-(4-methylpentyl)pyrazol-4-yl]methanamine (PubChem CID 83168953) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is [3,5-diethyl-1-(4-methylpentyl)pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[3,5-diethyl-1-(4-methylpentyl)pyrazol-4-yl]methanamine
PubChem CID83168953
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name[3,5-diethyl-1-(4-methylpentyl)pyrazol-4-yl]methanamine
SMILESCCc1nn(CCCC(C)C)c(CC)c1CN
InChIInChI=1S/C14H27N3/c1-5-13-12(10-15)14(6-2)17(16-13)9-7-8-11(3)4/h11H,5-10,15H2,1-4H3
InChIKeyVVQCNQFPMLELMO-UHFFFAOYSA-N
XLogP2.90
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3,5-diethyl-1-(4-methylpentyl)pyrazol-4-yl]butan-2-amine
CID 83167967
1-[3,5-diethyl-1-(4-methylpentyl)pyrazol-4-yl]ethanamine
CID 83169070
[3,5-diethyl-1-(4-methoxybutyl)pyrazol-4-yl]methanamine
CID 104649614
1-[3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]propan-2-amine
CID 82698914
N-[[3,5-diethyl-1-(3-methylbutyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 82698283
1-butyl-4-(chloromethyl)-3,5-diethylpyrazole
CID 82700348
[3,5-diethyl-1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]methanamine
CID 82699760
1-[3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]ethanamine
CID 82696919
1-(3,5-diethyl-1-pentylpyrazol-4-yl)ethanamine
CID 82697450
2-[1-(3-ethoxypropyl)-3,5-diethylpyrazol-4-yl]ethanamine
CID 82699797
2-[3,5-diethyl-1-(3-ethylsulfonylpropyl)pyrazol-4-yl]ethanamine
CID 82698599
N-[[3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]methyl]ethanamine
CID 82697029

Frequently Asked Questions

What is the IUPAC name of [3,5-diethyl-1-(4-methylpentyl)pyrazol-4-yl]methanamine?
The IUPAC name of [3,5-diethyl-1-(4-methylpentyl)pyrazol-4-yl]methanamine (CID 83168953) is [3,5-diethyl-1-(4-methylpentyl)pyrazol-4-yl]methanamine.
What is the SMILES notation for [3,5-diethyl-1-(4-methylpentyl)pyrazol-4-yl]methanamine?
The canonical SMILES for [3,5-diethyl-1-(4-methylpentyl)pyrazol-4-yl]methanamine is CCc1nn(CCCC(C)C)c(CC)c1CN.
What is the InChIKey of [3,5-diethyl-1-(4-methylpentyl)pyrazol-4-yl]methanamine?
The InChIKey is VVQCNQFPMLELMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-5-13-12(10-15)14(6-2)17(16-13)9-7-8-11(3)4/h11H,5-10,15H2,1-4H3.
What are the key properties of [3,5-diethyl-1-(4-methylpentyl)pyrazol-4-yl]methanamine?
[3,5-diethyl-1-(4-methylpentyl)pyrazol-4-yl]methanamine has a molecular weight of 237.39 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-diethyl-1-(4-methylpentyl)pyrazol-4-yl]methanamine is sourced from PubChem (CID 83168953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).