ethane;1-heptan-3-yl-4-methylpyrazole

C15H32N2 — CID 169217888

IUPACethane;1-heptan-3-yl-4-methylpyrazole
SMILESCC.CC.CCCCC(CC)n1cc(C)cn1
InChIInChI=1S/C11H20N2.2C2H6/c1-4-6-7-11(5-2)13-9-10(3)8-12-13;2*1-2/h8-9,11H,4-7H2,1-3H3;2*1-2H3
InChIKeyZLKLUDJQXPEREM-UHFFFAOYSA-N
MW240.43 g/mol
LogP5.39
Rot. Bonds5

About ethane;1-heptan-3-yl-4-methylpyrazole

ethane;1-heptan-3-yl-4-methylpyrazole (PubChem CID 169217888) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is ethane;1-heptan-3-yl-4-methylpyrazole.

Molecular Properties

Compound Nameethane;1-heptan-3-yl-4-methylpyrazole
PubChem CID169217888
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Nameethane;1-heptan-3-yl-4-methylpyrazole
SMILESCC.CC.CCCCC(CC)n1cc(C)cn1
InChIInChI=1S/C11H20N2.2C2H6/c1-4-6-7-11(5-2)13-9-10(3)8-12-13;2*1-2/h8-9,11H,4-7H2,1-3H3;2*1-2H3
InChIKeyZLKLUDJQXPEREM-UHFFFAOYSA-N
XLogP5.39
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.43
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-(4-methylpyrazol-1-yl)pentan-1-amine
CID 83046028
1-heptan-3-ylpyrazole
CID 121348512
ethyl 2-(4-methylpyrazol-1-yl)butanoate
CID 25248356
ethyl 2-(4-methylpyrazol-1-yl)pentanoate
CID 83037654
ethyl (2R)-2-(4-methylpyrazol-1-yl)propanoate
CID 7017156
4-(1-heptan-3-ylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine;molecular hydrogen
CID 158542075
N-ethyl-3-methyl-2-(4-methylpyrazol-1-yl)butan-1-amine
CID 62447059
1-(4-methylpyrazol-1-yl)ethanamine
CID 155393136
ethane;4-(5-ethylthiophen-2-yl)-1-hexan-3-ylpyrazole
CID 164919019
2-ethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]hexan-1-amine
CID 104627896
(2S)-2-(4-methylpyrazol-1-yl)propan-1-amine
CID 42576130
3-methoxy-N-methyl-2-(4-methylpyrazol-1-yl)propan-1-amine
CID 103227538

Frequently Asked Questions

What is the IUPAC name of ethane;1-heptan-3-yl-4-methylpyrazole?
The IUPAC name of ethane;1-heptan-3-yl-4-methylpyrazole (CID 169217888) is ethane;1-heptan-3-yl-4-methylpyrazole.
What is the SMILES notation for ethane;1-heptan-3-yl-4-methylpyrazole?
The canonical SMILES for ethane;1-heptan-3-yl-4-methylpyrazole is CC.CC.CCCCC(CC)n1cc(C)cn1.
What is the InChIKey of ethane;1-heptan-3-yl-4-methylpyrazole?
The InChIKey is ZLKLUDJQXPEREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2.2C2H6/c1-4-6-7-11(5-2)13-9-10(3)8-12-13;2*1-2/h8-9,11H,4-7H2,1-3H3;2*1-2H3.
What are the key properties of ethane;1-heptan-3-yl-4-methylpyrazole?
ethane;1-heptan-3-yl-4-methylpyrazole has a molecular weight of 240.43 g/mol, XLogP of 5.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-heptan-3-yl-4-methylpyrazole is sourced from PubChem (CID 169217888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).