5-butyl-4-ethyl-1H-pyrazole

C9H16N2 — CID 147341447

IUPAC5-butyl-4-ethyl-1H-pyrazole
SMILESCCCCc1[nH]ncc1CC
InChIInChI=1S/C9H16N2/c1-3-5-6-9-8(4-2)7-10-11-9/h7H,3-6H2,1-2H3,(H,10,11)
InChIKeyDDOMQCJUROZWSC-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.31
Rot. Bonds4

About 5-butyl-4-ethyl-1H-pyrazole

5-butyl-4-ethyl-1H-pyrazole (PubChem CID 147341447) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 5-butyl-4-ethyl-1H-pyrazole.

Molecular Properties

Compound Name5-butyl-4-ethyl-1H-pyrazole
PubChem CID147341447
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name5-butyl-4-ethyl-1H-pyrazole
SMILESCCCCc1[nH]ncc1CC
InChIInChI=1S/C9H16N2/c1-3-5-6-9-8(4-2)7-10-11-9/h7H,3-6H2,1-2H3,(H,10,11)
InChIKeyDDOMQCJUROZWSC-UHFFFAOYSA-N
XLogP2.31
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-4-ethyl-1H-pyrazole?
The IUPAC name of 5-butyl-4-ethyl-1H-pyrazole (CID 147341447) is 5-butyl-4-ethyl-1H-pyrazole.
What is the SMILES notation for 5-butyl-4-ethyl-1H-pyrazole?
The canonical SMILES for 5-butyl-4-ethyl-1H-pyrazole is CCCCc1[nH]ncc1CC.
What is the InChIKey of 5-butyl-4-ethyl-1H-pyrazole?
The InChIKey is DDOMQCJUROZWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-3-5-6-9-8(4-2)7-10-11-9/h7H,3-6H2,1-2H3,(H,10,11).
What are the key properties of 5-butyl-4-ethyl-1H-pyrazole?
5-butyl-4-ethyl-1H-pyrazole has a molecular weight of 152.24 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-4-ethyl-1H-pyrazole is sourced from PubChem (CID 147341447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).