3-cyclopropyl-1-ethyl-4-methylpyrazole

C9H14N2 — CID 142138572

IUPAC3-cyclopropyl-1-ethyl-4-methylpyrazole
SMILESCCn1cc(C)c(C2CC2)n1
InChIInChI=1S/C9H14N2/c1-3-11-6-7(2)9(10-11)8-4-5-8/h6,8H,3-5H2,1-2H3
InChIKeyVVCGRFOVSWAGCT-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.09
Rot. Bonds2

About 3-cyclopropyl-1-ethyl-4-methylpyrazole

3-cyclopropyl-1-ethyl-4-methylpyrazole (PubChem CID 142138572) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 3-cyclopropyl-1-ethyl-4-methylpyrazole.

Molecular Properties

Compound Name3-cyclopropyl-1-ethyl-4-methylpyrazole
PubChem CID142138572
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name3-cyclopropyl-1-ethyl-4-methylpyrazole
SMILESCCn1cc(C)c(C2CC2)n1
InChIInChI=1S/C9H14N2/c1-3-11-6-7(2)9(10-11)8-4-5-8/h6,8H,3-5H2,1-2H3
InChIKeyVVCGRFOVSWAGCT-UHFFFAOYSA-N
XLogP2.09
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-ethyl-4-methylpyrazole?
The IUPAC name of 3-cyclopropyl-1-ethyl-4-methylpyrazole (CID 142138572) is 3-cyclopropyl-1-ethyl-4-methylpyrazole.
What is the SMILES notation for 3-cyclopropyl-1-ethyl-4-methylpyrazole?
The canonical SMILES for 3-cyclopropyl-1-ethyl-4-methylpyrazole is CCn1cc(C)c(C2CC2)n1.
What is the InChIKey of 3-cyclopropyl-1-ethyl-4-methylpyrazole?
The InChIKey is VVCGRFOVSWAGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-3-11-6-7(2)9(10-11)8-4-5-8/h6,8H,3-5H2,1-2H3.
What are the key properties of 3-cyclopropyl-1-ethyl-4-methylpyrazole?
3-cyclopropyl-1-ethyl-4-methylpyrazole has a molecular weight of 150.22 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-ethyl-4-methylpyrazole is sourced from PubChem (CID 142138572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).