1-(2-ethylpentyl)-4-methylpyrazole

C11H20N2 — CID 171540355

IUPAC1-(2-ethylpentyl)-4-methylpyrazole
SMILESCCCC(CC)Cn1cc(C)cn1
InChIInChI=1S/C11H20N2/c1-4-6-11(5-2)9-13-8-10(3)7-12-13/h7-8,11H,4-6,9H2,1-3H3
InChIKeyIFZFKWDWJZNGFA-UHFFFAOYSA-N
MW180.30 g/mol
LogP3.02
Rot. Bonds5

About 1-(2-ethylpentyl)-4-methylpyrazole

1-(2-ethylpentyl)-4-methylpyrazole (PubChem CID 171540355) has the molecular formula C11H20N2 and a molecular weight of 180.30 g/mol. Its IUPAC name is 1-(2-ethylpentyl)-4-methylpyrazole.

Molecular Properties

Compound Name1-(2-ethylpentyl)-4-methylpyrazole
PubChem CID171540355
Molecular FormulaC11H20N2
Molecular Weight180.30 g/mol
Exact Mass180.16
IUPAC Name1-(2-ethylpentyl)-4-methylpyrazole
SMILESCCCC(CC)Cn1cc(C)cn1
InChIInChI=1S/C11H20N2/c1-4-6-11(5-2)9-13-8-10(3)7-12-13/h7-8,11H,4-6,9H2,1-3H3
InChIKeyIFZFKWDWJZNGFA-UHFFFAOYSA-N
XLogP3.02
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.30
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethene;4-methyl-1-(2-methylbutyl)pyrazole
CID 143972453
N-ethyl-1-(4-methylpyrazol-1-yl)butan-2-amine
CID 62040383
1-(2,2-difluoroethyl)-4-methylpyrazole;ethane
CID 169136137
1-[1-(2-ethylhexyl)pyrazol-4-yl]propan-1-amine
CID 62729711
2-ethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]hexan-1-amine
CID 104627896
1-(2-ethylbutyl)pyrazol-4-amine
CID 56604384
1-[1-(2-ethylhexyl)pyrazol-4-yl]butan-2-amine
CID 62731697
N-ethyl-1-[1-(2-ethylhexyl)pyrazol-4-yl]ethanamine
CID 62730156
(2R)-1,1,1-trifluoro-3-(4-methylpyrazol-1-yl)propan-2-ol
CID 118260384
[1-(2-ethylhexyl)pyrazol-4-yl]-phenyldiazene
CID 132597018
N-[1-cyclopropyl-2-(4-methylpyrazol-1-yl)ethyl]propan-1-amine
CID 63911994
(4-methylpyrazol-1-yl)methanol
CID 7172181

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpentyl)-4-methylpyrazole?
The IUPAC name of 1-(2-ethylpentyl)-4-methylpyrazole (CID 171540355) is 1-(2-ethylpentyl)-4-methylpyrazole.
What is the SMILES notation for 1-(2-ethylpentyl)-4-methylpyrazole?
The canonical SMILES for 1-(2-ethylpentyl)-4-methylpyrazole is CCCC(CC)Cn1cc(C)cn1.
What is the InChIKey of 1-(2-ethylpentyl)-4-methylpyrazole?
The InChIKey is IFZFKWDWJZNGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-4-6-11(5-2)9-13-8-10(3)7-12-13/h7-8,11H,4-6,9H2,1-3H3.
What are the key properties of 1-(2-ethylpentyl)-4-methylpyrazole?
1-(2-ethylpentyl)-4-methylpyrazole has a molecular weight of 180.30 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpentyl)-4-methylpyrazole is sourced from PubChem (CID 171540355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).