(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)urea;spiro[1,2-dihydroindene-3,1'-cyclopropane]-2-ol

C24H28N4O3 — CID 144629233

IUPAC(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)urea;spiro[1,2-dihydroindene-3,1'-cyclopropane]-2-ol
SMILESCCOc1nn(-c2ccccc2)c(NC(N)=O)c1C.OC1Cc2ccccc2C12CC2
InChIInChI=1S/C13H16N4O2.C11H12O/c1-3-19-12-9(2)11(15-13(14)18)17(16-12)10-7-5-4-6-8-10;12-10-7-8-3-1-2-4-9(8)11(10)5-6-11/h4-8H,3H2,1-2H3,(H3,14,15,18);1-4,10,12H,5-7H2
InChIKeyHJFBWRGWKNBKRF-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.71
Rot. Bonds4

About (3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)urea;spiro[1,2-dihydroindene-3,1'-cyclopropane]-2-ol

(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)urea;spiro[1,2-dihydroindene-3,1'-cyclopropane]-2-ol (PubChem CID 144629233) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is (3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)urea;spiro[1,2-dihydroindene-3,1'-cyclopropane]-2-ol.

Molecular Properties

Compound Name(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)urea;spiro[1,2-dihydroindene-3,1'-cyclopropane]-2-ol
PubChem CID144629233
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)urea;spiro[1,2-dihydroindene-3,1'-cyclopropane]-2-ol
SMILESCCOc1nn(-c2ccccc2)c(NC(N)=O)c1C.OC1Cc2ccccc2C12CC2
InChIInChI=1S/C13H16N4O2.C11H12O/c1-3-19-12-9(2)11(15-13(14)18)17(16-12)10-7-5-4-6-8-10;12-10-7-8-3-1-2-4-9(8)11(10)5-6-11/h4-8H,3H2,1-2H3,(H3,14,15,18);1-4,10,12H,5-7H2
InChIKeyHJFBWRGWKNBKRF-UHFFFAOYSA-N
XLogP3.71
TPSA102.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)urea;spiro[1,2-dihydroindene-3,1'-cyclopropane]-2-ol?
The IUPAC name of (3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)urea;spiro[1,2-dihydroindene-3,1'-cyclopropane]-2-ol (CID 144629233) is (3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)urea;spiro[1,2-dihydroindene-3,1'-cyclopropane]-2-ol.
What is the SMILES notation for (3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)urea;spiro[1,2-dihydroindene-3,1'-cyclopropane]-2-ol?
The canonical SMILES for (3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)urea;spiro[1,2-dihydroindene-3,1'-cyclopropane]-2-ol is CCOc1nn(-c2ccccc2)c(NC(N)=O)c1C.OC1Cc2ccccc2C12CC2.
What is the InChIKey of (3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)urea;spiro[1,2-dihydroindene-3,1'-cyclopropane]-2-ol?
The InChIKey is HJFBWRGWKNBKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2.C11H12O/c1-3-19-12-9(2)11(15-13(14)18)17(16-12)10-7-5-4-6-8-10;12-10-7-8-3-1-2-4-9(8)11(10)5-6-11/h4-8H,3H2,1-2H3,(H3,14,15,18);1-4,10,12H,5-7H2.
What are the key properties of (3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)urea;spiro[1,2-dihydroindene-3,1'-cyclopropane]-2-ol?
(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)urea;spiro[1,2-dihydroindene-3,1'-cyclopropane]-2-ol has a molecular weight of 420.51 g/mol, XLogP of 3.71, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)urea;spiro[1,2-dihydroindene-3,1'-cyclopropane]-2-ol is sourced from PubChem (CID 144629233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).