4-tert-butyl-1-cyclopropyl-3-(oxan-4-yl)-5-propan-2-ylpyrazole

C18H30N2O — CID 142466762

IUPAC4-tert-butyl-1-cyclopropyl-3-(oxan-4-yl)-5-propan-2-ylpyrazole
SMILESCC(C)c1c(C(C)(C)C)c(C2CCOCC2)nn1C1CC1
InChIInChI=1S/C18H30N2O/c1-12(2)17-15(18(3,4)5)16(13-8-10-21-11-9-13)19-20(17)14-6-7-14/h12-14H,6-11H2,1-5H3
InChIKeyFVKSDRVQFGFOMD-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.53
Rot. Bonds3

About 4-tert-butyl-1-cyclopropyl-3-(oxan-4-yl)-5-propan-2-ylpyrazole

4-tert-butyl-1-cyclopropyl-3-(oxan-4-yl)-5-propan-2-ylpyrazole (PubChem CID 142466762) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 4-tert-butyl-1-cyclopropyl-3-(oxan-4-yl)-5-propan-2-ylpyrazole.

Molecular Properties

Compound Name4-tert-butyl-1-cyclopropyl-3-(oxan-4-yl)-5-propan-2-ylpyrazole
PubChem CID142466762
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name4-tert-butyl-1-cyclopropyl-3-(oxan-4-yl)-5-propan-2-ylpyrazole
SMILESCC(C)c1c(C(C)(C)C)c(C2CCOCC2)nn1C1CC1
InChIInChI=1S/C18H30N2O/c1-12(2)17-15(18(3,4)5)16(13-8-10-21-11-9-13)19-20(17)14-6-7-14/h12-14H,6-11H2,1-5H3
InChIKeyFVKSDRVQFGFOMD-UHFFFAOYSA-N
XLogP4.53
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-cyclopropyl-3-(oxan-4-yl)-5-propan-2-ylpyrazole?
The IUPAC name of 4-tert-butyl-1-cyclopropyl-3-(oxan-4-yl)-5-propan-2-ylpyrazole (CID 142466762) is 4-tert-butyl-1-cyclopropyl-3-(oxan-4-yl)-5-propan-2-ylpyrazole.
What is the SMILES notation for 4-tert-butyl-1-cyclopropyl-3-(oxan-4-yl)-5-propan-2-ylpyrazole?
The canonical SMILES for 4-tert-butyl-1-cyclopropyl-3-(oxan-4-yl)-5-propan-2-ylpyrazole is CC(C)c1c(C(C)(C)C)c(C2CCOCC2)nn1C1CC1.
What is the InChIKey of 4-tert-butyl-1-cyclopropyl-3-(oxan-4-yl)-5-propan-2-ylpyrazole?
The InChIKey is FVKSDRVQFGFOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-12(2)17-15(18(3,4)5)16(13-8-10-21-11-9-13)19-20(17)14-6-7-14/h12-14H,6-11H2,1-5H3.
What are the key properties of 4-tert-butyl-1-cyclopropyl-3-(oxan-4-yl)-5-propan-2-ylpyrazole?
4-tert-butyl-1-cyclopropyl-3-(oxan-4-yl)-5-propan-2-ylpyrazole has a molecular weight of 290.45 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-cyclopropyl-3-(oxan-4-yl)-5-propan-2-ylpyrazole is sourced from PubChem (CID 142466762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).