1-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-3-(2-ethoxyphenyl)urea

C17H22N4O3 — CID 90615426

IUPAC1-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-3-(2-ethoxyphenyl)urea
SMILESCCOc1ccccc1NC(=O)NCCn1ncc2c1CCOC2
InChIInChI=1S/C17H22N4O3/c1-2-24-16-6-4-3-5-14(16)20-17(22)18-8-9-21-15-7-10-23-12-13(15)11-19-21/h3-6,11H,2,7-10,12H2,1H3,(H2,18,20,22)
InChIKeyOAIMVYWQVJUXRO-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.18
Rot. Bonds6

About 1-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-3-(2-ethoxyphenyl)urea

1-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-3-(2-ethoxyphenyl)urea (PubChem CID 90615426) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 1-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-3-(2-ethoxyphenyl)urea.

Molecular Properties

Compound Name1-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-3-(2-ethoxyphenyl)urea
PubChem CID90615426
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name1-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-3-(2-ethoxyphenyl)urea
SMILESCCOc1ccccc1NC(=O)NCCn1ncc2c1CCOC2
InChIInChI=1S/C17H22N4O3/c1-2-24-16-6-4-3-5-14(16)20-17(22)18-8-9-21-15-7-10-23-12-13(15)11-19-21/h3-6,11H,2,7-10,12H2,1H3,(H2,18,20,22)
InChIKeyOAIMVYWQVJUXRO-UHFFFAOYSA-N
XLogP2.18
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-3-(2-ethoxyphenyl)urea with MolForge

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Related Compounds

1-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-3-phenylurea
CID 90615402
1-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-3-pentan-3-ylurea
CID 90615401
1-[(4-chlorophenyl)methyl]-3-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]urea
CID 90615429
N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-4-propylbenzamide
CID 90615148
N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-2-(3-methylphenyl)acetamide
CID 90615127
N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide
CID 90615113
1-(2-ethoxyphenyl)-3-(oxan-4-ylmethyl)urea
CID 108912943
1-(2-ethoxyphenyl)-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]urea
CID 90622357
4-N-(2-ethoxyphenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109045923
1-(2-ethoxyphenyl)-3-(2-methoxyethyl)urea
CID 47032357
1-[2-(5-cyclopropyl-3-pyridin-2-ylpyrazol-1-yl)ethyl]-3-(2-ethoxyphenyl)urea
CID 72718771
N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-2-phenoxyethanesulfonamide
CID 90615451

Frequently Asked Questions

What is the IUPAC name of 1-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-3-(2-ethoxyphenyl)urea?
The IUPAC name of 1-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-3-(2-ethoxyphenyl)urea (CID 90615426) is 1-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-3-(2-ethoxyphenyl)urea.
What is the SMILES notation for 1-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-3-(2-ethoxyphenyl)urea?
The canonical SMILES for 1-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-3-(2-ethoxyphenyl)urea is CCOc1ccccc1NC(=O)NCCn1ncc2c1CCOC2.
What is the InChIKey of 1-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-3-(2-ethoxyphenyl)urea?
The InChIKey is OAIMVYWQVJUXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-2-24-16-6-4-3-5-14(16)20-17(22)18-8-9-21-15-7-10-23-12-13(15)11-19-21/h3-6,11H,2,7-10,12H2,1H3,(H2,18,20,22).
What are the key properties of 1-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-3-(2-ethoxyphenyl)urea?
1-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-3-(2-ethoxyphenyl)urea has a molecular weight of 330.39 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-3-(2-ethoxyphenyl)urea is sourced from PubChem (CID 90615426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).