1-hexan-3-yl-3-methylpyrazole

C10H18N2 — CID 130192480

IUPAC1-hexan-3-yl-3-methylpyrazole
SMILESCCCC(CC)n1ccc(C)n1
InChIInChI=1S/C10H18N2/c1-4-6-10(5-2)12-8-7-9(3)11-12/h7-8,10H,4-6H2,1-3H3
InChIKeyIAVZUVHHNNRQJX-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.94
Rot. Bonds4

About 1-hexan-3-yl-3-methylpyrazole

1-hexan-3-yl-3-methylpyrazole (PubChem CID 130192480) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 1-hexan-3-yl-3-methylpyrazole.

Molecular Properties

Compound Name1-hexan-3-yl-3-methylpyrazole
PubChem CID130192480
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name1-hexan-3-yl-3-methylpyrazole
SMILESCCCC(CC)n1ccc(C)n1
InChIInChI=1S/C10H18N2/c1-4-6-10(5-2)12-8-7-9(3)11-12/h7-8,10H,4-6H2,1-3H3
InChIKeyIAVZUVHHNNRQJX-UHFFFAOYSA-N
XLogP2.94
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-hexan-3-yl-3-methylpyrazole?
The IUPAC name of 1-hexan-3-yl-3-methylpyrazole (CID 130192480) is 1-hexan-3-yl-3-methylpyrazole.
What is the SMILES notation for 1-hexan-3-yl-3-methylpyrazole?
The canonical SMILES for 1-hexan-3-yl-3-methylpyrazole is CCCC(CC)n1ccc(C)n1.
What is the InChIKey of 1-hexan-3-yl-3-methylpyrazole?
The InChIKey is IAVZUVHHNNRQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-4-6-10(5-2)12-8-7-9(3)11-12/h7-8,10H,4-6H2,1-3H3.
What are the key properties of 1-hexan-3-yl-3-methylpyrazole?
1-hexan-3-yl-3-methylpyrazole has a molecular weight of 166.27 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexan-3-yl-3-methylpyrazole is sourced from PubChem (CID 130192480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).