1-(3-ethoxyspiro[3.5]nonan-1-yl)-1-methyl-3-(1-methylpyrazol-3-yl)urea

C17H28N4O2 — CID 102559032

IUPAC1-(3-ethoxyspiro[3.5]nonan-1-yl)-1-methyl-3-(1-methylpyrazol-3-yl)urea
SMILESCCOC1CC(N(C)C(=O)Nc2ccn(C)n2)C12CCCCC2
InChIInChI=1S/C17H28N4O2/c1-4-23-14-12-13(17(14)9-6-5-7-10-17)21(3)16(22)18-15-8-11-20(2)19-15/h8,11,13-14H,4-7,9-10,12H2,1-3H3,(H,18,19,22)
InChIKeyFUSQBCIWUCKOPZ-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.01
Rot. Bonds4

About 1-(3-ethoxyspiro[3.5]nonan-1-yl)-1-methyl-3-(1-methylpyrazol-3-yl)urea

1-(3-ethoxyspiro[3.5]nonan-1-yl)-1-methyl-3-(1-methylpyrazol-3-yl)urea (PubChem CID 102559032) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 1-(3-ethoxyspiro[3.5]nonan-1-yl)-1-methyl-3-(1-methylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-(3-ethoxyspiro[3.5]nonan-1-yl)-1-methyl-3-(1-methylpyrazol-3-yl)urea
PubChem CID102559032
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name1-(3-ethoxyspiro[3.5]nonan-1-yl)-1-methyl-3-(1-methylpyrazol-3-yl)urea
SMILESCCOC1CC(N(C)C(=O)Nc2ccn(C)n2)C12CCCCC2
InChIInChI=1S/C17H28N4O2/c1-4-23-14-12-13(17(14)9-6-5-7-10-17)21(3)16(22)18-15-8-11-20(2)19-15/h8,11,13-14H,4-7,9-10,12H2,1-3H3,(H,18,19,22)
InChIKeyFUSQBCIWUCKOPZ-UHFFFAOYSA-N
XLogP3.01
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[1-(2-Ethoxyethyl)cyclopentyl]methyl]-3-(1-methylpyrazol-3-yl)urea
CID 71850192
1-(4,4-Dimethylcyclohexyl)-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea
CID 71992405
1-[1-(2,2-Difluoroethyl)pyrazol-3-yl]-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylurea
CID 84589855
1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[(1S,5S,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]urea
CID 97606033
1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[(1S,5S,6S)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]urea
CID 97606036
1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[(1S,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]urea
CID 97606037
1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[(1S,5R,6S)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]urea
CID 97606038
1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[(1R,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]urea
CID 129432834
1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[(1R,5S,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]urea
CID 129432835
1-[3-[[5-(4-Methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexyl]-3-(1-methylpyrazol-3-yl)urea
CID 140515766
1-(3-Cyclohexyloxypropyl)-3-(2-cyclohexylpyrazol-3-yl)urea
CID 51117955
1-(3-Ethoxyspiro[3.4]octan-1-yl)-1-methyl-3-(1-methylpyrazol-3-yl)urea
CID 56795053

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyspiro[3.5]nonan-1-yl)-1-methyl-3-(1-methylpyrazol-3-yl)urea?
The IUPAC name of 1-(3-ethoxyspiro[3.5]nonan-1-yl)-1-methyl-3-(1-methylpyrazol-3-yl)urea (CID 102559032) is 1-(3-ethoxyspiro[3.5]nonan-1-yl)-1-methyl-3-(1-methylpyrazol-3-yl)urea.
What is the SMILES notation for 1-(3-ethoxyspiro[3.5]nonan-1-yl)-1-methyl-3-(1-methylpyrazol-3-yl)urea?
The canonical SMILES for 1-(3-ethoxyspiro[3.5]nonan-1-yl)-1-methyl-3-(1-methylpyrazol-3-yl)urea is CCOC1CC(N(C)C(=O)Nc2ccn(C)n2)C12CCCCC2.
What is the InChIKey of 1-(3-ethoxyspiro[3.5]nonan-1-yl)-1-methyl-3-(1-methylpyrazol-3-yl)urea?
The InChIKey is FUSQBCIWUCKOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-4-23-14-12-13(17(14)9-6-5-7-10-17)21(3)16(22)18-15-8-11-20(2)19-15/h8,11,13-14H,4-7,9-10,12H2,1-3H3,(H,18,19,22).
What are the key properties of 1-(3-ethoxyspiro[3.5]nonan-1-yl)-1-methyl-3-(1-methylpyrazol-3-yl)urea?
1-(3-ethoxyspiro[3.5]nonan-1-yl)-1-methyl-3-(1-methylpyrazol-3-yl)urea has a molecular weight of 320.44 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxyspiro[3.5]nonan-1-yl)-1-methyl-3-(1-methylpyrazol-3-yl)urea is sourced from PubChem (CID 102559032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).