3-cyclopropyl-1-ethyl-4-methylpyrazole;propane

C12H22N2 — CID 142138571

IUPAC3-cyclopropyl-1-ethyl-4-methylpyrazole;propane
SMILESCCC.CCn1cc(C)c(C2CC2)n1
InChIInChI=1S/C9H14N2.C3H8/c1-3-11-6-7(2)9(10-11)8-4-5-8;1-3-2/h6,8H,3-5H2,1-2H3;3H2,1-2H3
InChIKeyPOBUAWCDGXGUSV-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.51
Rot. Bonds2

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

3-cyclopropyl-1-ethyl-4-methylpyrazole;propane (PubChem CID 142138571) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 3-cyclopropyl-1-ethyl-4-methylpyrazole;propane.

Molecular Properties

Compound Name3-cyclopropyl-1-ethyl-4-methylpyrazole;propane
PubChem CID142138571
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name3-cyclopropyl-1-ethyl-4-methylpyrazole;propane
SMILESCCC.CCn1cc(C)c(C2CC2)n1
InChIInChI=1S/C9H14N2.C3H8/c1-3-11-6-7(2)9(10-11)8-4-5-8;1-3-2/h6,8H,3-5H2,1-2H3;3H2,1-2H3
InChIKeyPOBUAWCDGXGUSV-UHFFFAOYSA-N
XLogP3.51
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.51
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;propane?
The IUPAC name of 3-cyclopropyl-1-ethyl-4-methylpyrazole;propane (CID 142138571) is 3-cyclopropyl-1-ethyl-4-methylpyrazole;propane.
What is the SMILES notation for 3-cyclopropyl-1-ethyl-4-methylpyrazole;propane?
The canonical SMILES for 3-cyclopropyl-1-ethyl-4-methylpyrazole;propane is CCC.CCn1cc(C)c(C2CC2)n1.
What is the InChIKey of 3-cyclopropyl-1-ethyl-4-methylpyrazole;propane?
The InChIKey is POBUAWCDGXGUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2.C3H8/c1-3-11-6-7(2)9(10-11)8-4-5-8;1-3-2/h6,8H,3-5H2,1-2H3;3H2,1-2H3.
What are the key properties of 3-cyclopropyl-1-ethyl-4-methylpyrazole;propane?
3-cyclopropyl-1-ethyl-4-methylpyrazole;propane has a molecular weight of 194.32 g/mol, XLogP of 3.51, 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;propane is sourced from PubChem (CID 142138571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).