3-ethyl-5-methyl-1-propan-2-ylpyrazole

C9H16N2 — CID 58977189

IUPAC3-ethyl-5-methyl-1-propan-2-ylpyrazole
SMILESCCc1cc(C)n(C(C)C)n1
InChIInChI=1S/C9H16N2/c1-5-9-6-8(4)11(10-9)7(2)3/h6-7H,5H2,1-4H3
InChIKeyUBUAHOSEQWWJJN-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.33
Rot. Bonds2

About 3-ethyl-5-methyl-1-propan-2-ylpyrazole

3-ethyl-5-methyl-1-propan-2-ylpyrazole (PubChem CID 58977189) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 3-ethyl-5-methyl-1-propan-2-ylpyrazole.

Molecular Properties

Compound Name3-ethyl-5-methyl-1-propan-2-ylpyrazole
PubChem CID58977189
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name3-ethyl-5-methyl-1-propan-2-ylpyrazole
SMILESCCc1cc(C)n(C(C)C)n1
InChIInChI=1S/C9H16N2/c1-5-9-6-8(4)11(10-9)7(2)3/h6-7H,5H2,1-4H3
InChIKeyUBUAHOSEQWWJJN-UHFFFAOYSA-N
XLogP2.33
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methyl-1-propan-2-ylpyrazole?
The IUPAC name of 3-ethyl-5-methyl-1-propan-2-ylpyrazole (CID 58977189) is 3-ethyl-5-methyl-1-propan-2-ylpyrazole.
What is the SMILES notation for 3-ethyl-5-methyl-1-propan-2-ylpyrazole?
The canonical SMILES for 3-ethyl-5-methyl-1-propan-2-ylpyrazole is CCc1cc(C)n(C(C)C)n1.
What is the InChIKey of 3-ethyl-5-methyl-1-propan-2-ylpyrazole?
The InChIKey is UBUAHOSEQWWJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-5-9-6-8(4)11(10-9)7(2)3/h6-7H,5H2,1-4H3.
What are the key properties of 3-ethyl-5-methyl-1-propan-2-ylpyrazole?
3-ethyl-5-methyl-1-propan-2-ylpyrazole has a molecular weight of 152.24 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methyl-1-propan-2-ylpyrazole is sourced from PubChem (CID 58977189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).