5-(2,2-dicyclopropylethyl)-1-ethylpyrazole

C13H20N2 — CID 175896665

IUPAC5-(2,2-dicyclopropylethyl)-1-ethylpyrazole
SMILESCCn1nccc1CC(C1CC1)C1CC1
InChIInChI=1S/C13H20N2/c1-2-15-12(7-8-14-15)9-13(10-3-4-10)11-5-6-11/h7-8,10-11,13H,2-6,9H2,1H3
InChIKeyXTYJOLNNZOBPJQ-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.88
Rot. Bonds5

About 5-(2,2-dicyclopropylethyl)-1-ethylpyrazole

5-(2,2-dicyclopropylethyl)-1-ethylpyrazole (PubChem CID 175896665) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 5-(2,2-dicyclopropylethyl)-1-ethylpyrazole.

Molecular Properties

Compound Name5-(2,2-dicyclopropylethyl)-1-ethylpyrazole
PubChem CID175896665
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name5-(2,2-dicyclopropylethyl)-1-ethylpyrazole
SMILESCCn1nccc1CC(C1CC1)C1CC1
InChIInChI=1S/C13H20N2/c1-2-15-12(7-8-14-15)9-13(10-3-4-10)11-5-6-11/h7-8,10-11,13H,2-6,9H2,1H3
InChIKeyXTYJOLNNZOBPJQ-UHFFFAOYSA-N
XLogP2.88
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dicyclopropylethyl)-1-ethylpyrazole?
The IUPAC name of 5-(2,2-dicyclopropylethyl)-1-ethylpyrazole (CID 175896665) is 5-(2,2-dicyclopropylethyl)-1-ethylpyrazole.
What is the SMILES notation for 5-(2,2-dicyclopropylethyl)-1-ethylpyrazole?
The canonical SMILES for 5-(2,2-dicyclopropylethyl)-1-ethylpyrazole is CCn1nccc1CC(C1CC1)C1CC1.
What is the InChIKey of 5-(2,2-dicyclopropylethyl)-1-ethylpyrazole?
The InChIKey is XTYJOLNNZOBPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-2-15-12(7-8-14-15)9-13(10-3-4-10)11-5-6-11/h7-8,10-11,13H,2-6,9H2,1H3.
What are the key properties of 5-(2,2-dicyclopropylethyl)-1-ethylpyrazole?
5-(2,2-dicyclopropylethyl)-1-ethylpyrazole has a molecular weight of 204.32 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dicyclopropylethyl)-1-ethylpyrazole is sourced from PubChem (CID 175896665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).