N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]heptan-2-amine

C16H31N3 — CID 62567200

IUPACN-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]heptan-2-amine
SMILESCCCCCC(C)NCCn1nc(C)c(CC)c1C
InChIInChI=1S/C16H31N3/c1-6-8-9-10-13(3)17-11-12-19-15(5)16(7-2)14(4)18-19/h13,17H,6-12H2,1-5H3
InChIKeyFLRPBGFAJVKRJW-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.62
Rot. Bonds9

About N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]heptan-2-amine

N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]heptan-2-amine (PubChem CID 62567200) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]heptan-2-amine.

Molecular Properties

Compound NameN-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]heptan-2-amine
PubChem CID62567200
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC NameN-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]heptan-2-amine
SMILESCCCCCC(C)NCCn1nc(C)c(CC)c1C
InChIInChI=1S/C16H31N3/c1-6-8-9-10-13(3)17-11-12-19-15(5)16(7-2)14(4)18-19/h13,17H,6-12H2,1-5H3
InChIKeyFLRPBGFAJVKRJW-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-propylhexan-3-amine
CID 106800316
3-(3,5-dimethyl-1-propylpyrazol-4-yl)-N-propan-2-ylpropan-1-amine
CID 79225845
N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]butan-2-amine
CID 62565845
N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]prop-2-yn-1-amine
CID 62566814
N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]prop-2-en-1-amine
CID 62567598
N-[2-(4,5-dimethylimidazol-1-yl)ethyl]pentan-2-amine
CID 62566039
N-(2-ethoxyethyl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanamine
CID 62564933
2-amino-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)butan-1-ol
CID 64811343
N-[2-(2-ethylimidazol-1-yl)ethyl]heptan-2-amine
CID 62565525
N-(2-imidazol-1-ylethyl)heptan-2-amine
CID 60688086
2-[(3,5-dimethyl-1-propylpyrazol-4-yl)methylamino]propan-1-ol
CID 115696021
N-octan-2-ylundecan-1-amine
CID 150124606

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]heptan-2-amine?
The IUPAC name of N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]heptan-2-amine (CID 62567200) is N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]heptan-2-amine.
What is the SMILES notation for N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]heptan-2-amine?
The canonical SMILES for N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]heptan-2-amine is CCCCCC(C)NCCn1nc(C)c(CC)c1C.
What is the InChIKey of N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]heptan-2-amine?
The InChIKey is FLRPBGFAJVKRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-6-8-9-10-13(3)17-11-12-19-15(5)16(7-2)14(4)18-19/h13,17H,6-12H2,1-5H3.
What are the key properties of N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]heptan-2-amine?
N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]heptan-2-amine has a molecular weight of 265.44 g/mol, XLogP of 3.62, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]heptan-2-amine is sourced from PubChem (CID 62567200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).