3-cyclobutyl-5-ethyl-4-methyl-1H-pyrazole

C10H16N2 — CID 171384784

IUPAC3-cyclobutyl-5-ethyl-4-methyl-1H-pyrazole
SMILESCCc1[nH]nc(C2CCC2)c1C
InChIInChI=1S/C10H16N2/c1-3-9-7(2)10(12-11-9)8-5-4-6-8/h8H,3-6H2,1-2H3,(H,11,12)
InChIKeyAFFVPJPSBUWWBP-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.55
Rot. Bonds2

About 3-cyclobutyl-5-ethyl-4-methyl-1H-pyrazole

3-cyclobutyl-5-ethyl-4-methyl-1H-pyrazole (PubChem CID 171384784) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 3-cyclobutyl-5-ethyl-4-methyl-1H-pyrazole.

Molecular Properties

Compound Name3-cyclobutyl-5-ethyl-4-methyl-1H-pyrazole
PubChem CID171384784
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name3-cyclobutyl-5-ethyl-4-methyl-1H-pyrazole
SMILESCCc1[nH]nc(C2CCC2)c1C
InChIInChI=1S/C10H16N2/c1-3-9-7(2)10(12-11-9)8-5-4-6-8/h8H,3-6H2,1-2H3,(H,11,12)
InChIKeyAFFVPJPSBUWWBP-UHFFFAOYSA-N
XLogP2.55
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-5-ethyl-4-methyl-1H-pyrazole?
The IUPAC name of 3-cyclobutyl-5-ethyl-4-methyl-1H-pyrazole (CID 171384784) is 3-cyclobutyl-5-ethyl-4-methyl-1H-pyrazole.
What is the SMILES notation for 3-cyclobutyl-5-ethyl-4-methyl-1H-pyrazole?
The canonical SMILES for 3-cyclobutyl-5-ethyl-4-methyl-1H-pyrazole is CCc1[nH]nc(C2CCC2)c1C.
What is the InChIKey of 3-cyclobutyl-5-ethyl-4-methyl-1H-pyrazole?
The InChIKey is AFFVPJPSBUWWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-3-9-7(2)10(12-11-9)8-5-4-6-8/h8H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 3-cyclobutyl-5-ethyl-4-methyl-1H-pyrazole?
3-cyclobutyl-5-ethyl-4-methyl-1H-pyrazole has a molecular weight of 164.25 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-5-ethyl-4-methyl-1H-pyrazole is sourced from PubChem (CID 171384784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).