1-(3-ethyl-1-methylpyrazol-5-yl)-5-methylhexan-1-amine

C13H25N3 — CID 105177018

IUPAC1-(3-ethyl-1-methylpyrazol-5-yl)-5-methylhexan-1-amine
SMILESCCc1cc(C(N)CCCC(C)C)n(C)n1
InChIInChI=1S/C13H25N3/c1-5-11-9-13(16(4)15-11)12(14)8-6-7-10(2)3/h9-10,12H,5-8,14H2,1-4H3
InChIKeyRFNVCGOFLGMUFS-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.81
Rot. Bonds6

About 1-(3-ethyl-1-methylpyrazol-5-yl)-5-methylhexan-1-amine

1-(3-ethyl-1-methylpyrazol-5-yl)-5-methylhexan-1-amine (PubChem CID 105177018) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-5-yl)-5-methylhexan-1-amine.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-5-yl)-5-methylhexan-1-amine
PubChem CID105177018
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name1-(3-ethyl-1-methylpyrazol-5-yl)-5-methylhexan-1-amine
SMILESCCc1cc(C(N)CCCC(C)C)n(C)n1
InChIInChI=1S/C13H25N3/c1-5-11-9-13(16(4)15-11)12(14)8-6-7-10(2)3/h9-10,12H,5-8,14H2,1-4H3
InChIKeyRFNVCGOFLGMUFS-UHFFFAOYSA-N
XLogP2.81
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethyl-1-methylpyrazol-5-yl)undecan-1-amine
CID 105138150
1-(3-ethyl-1-methylpyrazol-5-yl)-3-methylbutan-1-amine
CID 105083062
1-(3-ethyl-1-methylpyrazol-5-yl)hex-5-en-1-amine
CID 105153055
1-(3-ethyl-1-methylpyrazol-5-yl)hex-4-yn-1-amine
CID 105181413
1-(3-ethyl-1-methylpyrazol-5-yl)-2-methylpropan-1-ol
CID 105133596
1-(3-ethyl-1-methylpyrazol-5-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 105171468
1-(3-ethyl-1-methylpyrazol-5-yl)decan-1-ol
CID 105084923
1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylnonan-1-amine
CID 105127778
1-(3-ethyl-1-methylpyrazol-5-yl)-2-methylbutan-1-ol
CID 105116539
1-(3-ethyl-1-methylpyrazol-5-yl)octylhydrazine
CID 105293484
2-(3-bromo-5-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanamine
CID 105169370
1-(1,3-diethylpyrazol-5-yl)-5-methyl-N-propylhexan-1-amine
CID 105177082

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)-5-methylhexan-1-amine?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)-5-methylhexan-1-amine (CID 105177018) is 1-(3-ethyl-1-methylpyrazol-5-yl)-5-methylhexan-1-amine.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-5-yl)-5-methylhexan-1-amine?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-5-yl)-5-methylhexan-1-amine is CCc1cc(C(N)CCCC(C)C)n(C)n1.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-5-yl)-5-methylhexan-1-amine?
The InChIKey is RFNVCGOFLGMUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-5-11-9-13(16(4)15-11)12(14)8-6-7-10(2)3/h9-10,12H,5-8,14H2,1-4H3.
What are the key properties of 1-(3-ethyl-1-methylpyrazol-5-yl)-5-methylhexan-1-amine?
1-(3-ethyl-1-methylpyrazol-5-yl)-5-methylhexan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylpyrazol-5-yl)-5-methylhexan-1-amine is sourced from PubChem (CID 105177018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).