4-ethyl-3,5-dipropyl-1H-pyrazole

C11H20N2 — CID 586388

IUPAC4-ethyl-3,5-dipropyl-1H-pyrazole
SMILESCCCc1n[nH]c(CCC)c1CC
InChIInChI=1S/C11H20N2/c1-4-7-10-9(6-3)11(8-5-2)13-12-10/h4-8H2,1-3H3,(H,12,13)
InChIKeyIASDKZHJAXIYKC-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.88
Rot. Bonds5

About 4-ethyl-3,5-dipropyl-1H-pyrazole

4-ethyl-3,5-dipropyl-1H-pyrazole (PubChem CID 586388) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 4-ethyl-3,5-dipropyl-1H-pyrazole.

Molecular Properties

Compound Name4-ethyl-3,5-dipropyl-1H-pyrazole
PubChem CID586388
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name4-ethyl-3,5-dipropyl-1H-pyrazole
SMILESCCCc1n[nH]c(CCC)c1CC
InChIInChI=1S/C11H20N2/c1-4-7-10-9(6-3)11(8-5-2)13-12-10/h4-8H2,1-3H3,(H,12,13)
InChIKeyIASDKZHJAXIYKC-UHFFFAOYSA-N
XLogP2.88
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3,5-dipropyl-1H-pyrazole?
The IUPAC name of 4-ethyl-3,5-dipropyl-1H-pyrazole (CID 586388) is 4-ethyl-3,5-dipropyl-1H-pyrazole.
What is the SMILES notation for 4-ethyl-3,5-dipropyl-1H-pyrazole?
The canonical SMILES for 4-ethyl-3,5-dipropyl-1H-pyrazole is CCCc1n[nH]c(CCC)c1CC.
What is the InChIKey of 4-ethyl-3,5-dipropyl-1H-pyrazole?
The InChIKey is IASDKZHJAXIYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-4-7-10-9(6-3)11(8-5-2)13-12-10/h4-8H2,1-3H3,(H,12,13).
What are the key properties of 4-ethyl-3,5-dipropyl-1H-pyrazole?
4-ethyl-3,5-dipropyl-1H-pyrazole has a molecular weight of 180.29 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3,5-dipropyl-1H-pyrazole is sourced from PubChem (CID 586388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).