4-ethyl-5-propyl-1H-pyrazole

C8H14N2 — CID 3786987

IUPAC4-ethyl-5-propyl-1H-pyrazole
SMILESCCCc1[nH]ncc1CC
InChIInChI=1S/C8H14N2/c1-3-5-8-7(4-2)6-9-10-8/h6H,3-5H2,1-2H3,(H,9,10)
InChIKeyHLEDQWQRHQGQMV-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.92
Rot. Bonds3

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

4-ethyl-5-propyl-1H-pyrazole (PubChem CID 3786987) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 4-ethyl-5-propyl-1H-pyrazole.

Molecular Properties

Compound Name4-ethyl-5-propyl-1H-pyrazole
PubChem CID3786987
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name4-ethyl-5-propyl-1H-pyrazole
SMILESCCCc1[nH]ncc1CC
InChIInChI=1S/C8H14N2/c1-3-5-8-7(4-2)6-9-10-8/h6H,3-5H2,1-2H3,(H,9,10)
InChIKeyHLEDQWQRHQGQMV-UHFFFAOYSA-N
XLogP1.92
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-propyl-1H-pyrazole?
The IUPAC name of 4-ethyl-5-propyl-1H-pyrazole (CID 3786987) is 4-ethyl-5-propyl-1H-pyrazole.
What is the SMILES notation for 4-ethyl-5-propyl-1H-pyrazole?
The canonical SMILES for 4-ethyl-5-propyl-1H-pyrazole is CCCc1[nH]ncc1CC.
What is the InChIKey of 4-ethyl-5-propyl-1H-pyrazole?
The InChIKey is HLEDQWQRHQGQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-3-5-8-7(4-2)6-9-10-8/h6H,3-5H2,1-2H3,(H,9,10).
What are the key properties of 4-ethyl-5-propyl-1H-pyrazole?
4-ethyl-5-propyl-1H-pyrazole has a molecular weight of 138.21 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-propyl-1H-pyrazole is sourced from PubChem (CID 3786987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).