1-(4-ethoxyphenyl)-3-[2-(6-methylimidazo[1,2-b]pyrazol-1-yl)ethyl]urea

C17H21N5O2 — CID 91629241

IUPAC1-(4-ethoxyphenyl)-3-[2-(6-methylimidazo[1,2-b]pyrazol-1-yl)ethyl]urea
SMILESCCOc1ccc(NC(=O)NCCn2ccn3nc(C)cc23)cc1
InChIInChI=1S/C17H21N5O2/c1-3-24-15-6-4-14(5-7-15)19-17(23)18-8-9-21-10-11-22-16(21)12-13(2)20-22/h4-7,10-12H,3,8-9H2,1-2H3,(H2,18,19,23)
InChIKeyXFQJEKATSZYWPW-UHFFFAOYSA-N
MW327.39 g/mol
LogP2.66
Rot. Bonds6

About 1-(4-ethoxyphenyl)-3-[2-(6-methylimidazo[1,2-b]pyrazol-1-yl)ethyl]urea

1-(4-ethoxyphenyl)-3-[2-(6-methylimidazo[1,2-b]pyrazol-1-yl)ethyl]urea (PubChem CID 91629241) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-[2-(6-methylimidazo[1,2-b]pyrazol-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-[2-(6-methylimidazo[1,2-b]pyrazol-1-yl)ethyl]urea
PubChem CID91629241
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name1-(4-ethoxyphenyl)-3-[2-(6-methylimidazo[1,2-b]pyrazol-1-yl)ethyl]urea
SMILESCCOc1ccc(NC(=O)NCCn2ccn3nc(C)cc23)cc1
InChIInChI=1S/C17H21N5O2/c1-3-24-15-6-4-14(5-7-15)19-17(23)18-8-9-21-10-11-22-16(21)12-13(2)20-22/h4-7,10-12H,3,8-9H2,1-2H3,(H2,18,19,23)
InChIKeyXFQJEKATSZYWPW-UHFFFAOYSA-N
XLogP2.66
TPSA72.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzhydryl-3-[2-(6-methylimidazo[1,2-b]pyrazol-1-yl)ethyl]urea
CID 91629245
2-[(4-ethoxyphenyl)carbamoylamino]acetic acid
CID 12856017
1-[3-(diethylamino)propyl]-3-(4-ethoxyphenyl)urea
CID 3669043
1-(4-ethoxyphenyl)-3-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)urea
CID 90556407
N-[4-[2-(4-ethoxyphenoxy)ethylcarbamoylamino]phenyl]acetamide
CID 112973214
1-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-3-(4-ethoxyphenyl)urea
CID 769372
1-(4-ethoxyphenyl)-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]urea
CID 47049542
1-(4-ethoxyphenyl)-3-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]urea
CID 122324509
1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-(4-ethoxyphenyl)urea
CID 112975715
1-(4-ethoxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883788
1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-(4-ethoxyphenyl)urea
CID 121139775
1-[2-(4-chlorophenoxy)ethyl]-3-(4-ethoxyphenyl)urea
CID 112970962

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-[2-(6-methylimidazo[1,2-b]pyrazol-1-yl)ethyl]urea?
The IUPAC name of 1-(4-ethoxyphenyl)-3-[2-(6-methylimidazo[1,2-b]pyrazol-1-yl)ethyl]urea (CID 91629241) is 1-(4-ethoxyphenyl)-3-[2-(6-methylimidazo[1,2-b]pyrazol-1-yl)ethyl]urea.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-[2-(6-methylimidazo[1,2-b]pyrazol-1-yl)ethyl]urea?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-[2-(6-methylimidazo[1,2-b]pyrazol-1-yl)ethyl]urea is CCOc1ccc(NC(=O)NCCn2ccn3nc(C)cc23)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-[2-(6-methylimidazo[1,2-b]pyrazol-1-yl)ethyl]urea?
The InChIKey is XFQJEKATSZYWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-3-24-15-6-4-14(5-7-15)19-17(23)18-8-9-21-10-11-22-16(21)12-13(2)20-22/h4-7,10-12H,3,8-9H2,1-2H3,(H2,18,19,23).
What are the key properties of 1-(4-ethoxyphenyl)-3-[2-(6-methylimidazo[1,2-b]pyrazol-1-yl)ethyl]urea?
1-(4-ethoxyphenyl)-3-[2-(6-methylimidazo[1,2-b]pyrazol-1-yl)ethyl]urea has a molecular weight of 327.39 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-[2-(6-methylimidazo[1,2-b]pyrazol-1-yl)ethyl]urea is sourced from PubChem (CID 91629241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).