3,5-diethyl-1-propylpyrazole

C10H18N2 — CID 82699697

IUPAC3,5-diethyl-1-propylpyrazole
SMILESCCCn1nc(CC)cc1CC
InChIInChI=1S/C10H18N2/c1-4-7-12-10(6-3)8-9(5-2)11-12/h8H,4-7H2,1-3H3
InChIKeyMJLZGKMCJLQUNR-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.42
Rot. Bonds4

About 3,5-diethyl-1-propylpyrazole

3,5-diethyl-1-propylpyrazole (PubChem CID 82699697) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 3,5-diethyl-1-propylpyrazole.

Molecular Properties

Compound Name3,5-diethyl-1-propylpyrazole
PubChem CID82699697
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name3,5-diethyl-1-propylpyrazole
SMILESCCCn1nc(CC)cc1CC
InChIInChI=1S/C10H18N2/c1-4-7-12-10(6-3)8-9(5-2)11-12/h8H,4-7H2,1-3H3
InChIKeyMJLZGKMCJLQUNR-UHFFFAOYSA-N
XLogP2.42
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-1-propylpyrazole?
The IUPAC name of 3,5-diethyl-1-propylpyrazole (CID 82699697) is 3,5-diethyl-1-propylpyrazole.
What is the SMILES notation for 3,5-diethyl-1-propylpyrazole?
The canonical SMILES for 3,5-diethyl-1-propylpyrazole is CCCn1nc(CC)cc1CC.
What is the InChIKey of 3,5-diethyl-1-propylpyrazole?
The InChIKey is MJLZGKMCJLQUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-4-7-12-10(6-3)8-9(5-2)11-12/h8H,4-7H2,1-3H3.
What are the key properties of 3,5-diethyl-1-propylpyrazole?
3,5-diethyl-1-propylpyrazole has a molecular weight of 166.27 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-1-propylpyrazole is sourced from PubChem (CID 82699697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).