5-ethyl-1,4-di(propan-2-yl)pyrazole

C11H20N2 — CID 146648119

IUPAC5-ethyl-1,4-di(propan-2-yl)pyrazole
SMILESCCc1c(C(C)C)cnn1C(C)C
InChIInChI=1S/C11H20N2/c1-6-11-10(8(2)3)7-12-13(11)9(4)5/h7-9H,6H2,1-5H3
InChIKeyPZHOHWFXHUOMDL-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.15
Rot. Bonds3

About 5-ethyl-1,4-di(propan-2-yl)pyrazole

5-ethyl-1,4-di(propan-2-yl)pyrazole (PubChem CID 146648119) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 5-ethyl-1,4-di(propan-2-yl)pyrazole.

Molecular Properties

Compound Name5-ethyl-1,4-di(propan-2-yl)pyrazole
PubChem CID146648119
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name5-ethyl-1,4-di(propan-2-yl)pyrazole
SMILESCCc1c(C(C)C)cnn1C(C)C
InChIInChI=1S/C11H20N2/c1-6-11-10(8(2)3)7-12-13(11)9(4)5/h7-9H,6H2,1-5H3
InChIKeyPZHOHWFXHUOMDL-UHFFFAOYSA-N
XLogP3.15
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-5-ethyl-1-propan-2-ylpyrazole;ethane
CID 177038898
5-chloro-1,4-di(propan-2-yl)pyrazole
CID 90145823
1-(5-methyl-1-propan-2-ylpyrazol-4-yl)propan-1-ol
CID 23005966
1-(1,5-diethylpyrazol-4-yl)ethanamine
CID 23005787
1-(5-ethyl-1-methylpyrazol-4-yl)propan-1-amine
CID 23005817
2-(5-chloro-1-propan-2-ylpyrazol-4-yl)propan-1-amine
CID 84776613
N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]ethanamine
CID 114652068
3-(1-propan-2-yl-5-propylpyrazol-4-yl)propan-1-amine
CID 105463597
5-(butan-2-yloxymethyl)-4-iodo-1-propan-2-ylpyrazole
CID 122171026
5-(3-bromohexyl)-4-methoxy-1-propan-2-ylpyrazole
CID 114665415
4-iodo-1-propan-2-yl-5-(propan-2-yloxymethyl)pyrazole
CID 122170988
(4-chloro-1-propan-2-ylpyrazol-5-yl)methylhydrazine
CID 105220837

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,4-di(propan-2-yl)pyrazole?
The IUPAC name of 5-ethyl-1,4-di(propan-2-yl)pyrazole (CID 146648119) is 5-ethyl-1,4-di(propan-2-yl)pyrazole.
What is the SMILES notation for 5-ethyl-1,4-di(propan-2-yl)pyrazole?
The canonical SMILES for 5-ethyl-1,4-di(propan-2-yl)pyrazole is CCc1c(C(C)C)cnn1C(C)C.
What is the InChIKey of 5-ethyl-1,4-di(propan-2-yl)pyrazole?
The InChIKey is PZHOHWFXHUOMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-6-11-10(8(2)3)7-12-13(11)9(4)5/h7-9H,6H2,1-5H3.
What are the key properties of 5-ethyl-1,4-di(propan-2-yl)pyrazole?
5-ethyl-1,4-di(propan-2-yl)pyrazole has a molecular weight of 180.29 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,4-di(propan-2-yl)pyrazole is sourced from PubChem (CID 146648119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).