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

C15H18N4O2 — CID 90615402

IUPAC1-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-3-phenylurea
SMILESO=C(NCCn1ncc2c1CCOC2)Nc1ccccc1
InChIInChI=1S/C15H18N4O2/c20-15(18-13-4-2-1-3-5-13)16-7-8-19-14-6-9-21-11-12(14)10-17-19/h1-5,10H,6-9,11H2,(H2,16,18,20)
InChIKeyLHBWQWNVRZSGHT-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.78
Rot. Bonds4

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

1-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-3-phenylurea (PubChem CID 90615402) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-3-phenylurea.

Molecular Properties

Compound Name1-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-3-phenylurea
PubChem CID90615402
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name1-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-3-phenylurea
SMILESO=C(NCCn1ncc2c1CCOC2)Nc1ccccc1
InChIInChI=1S/C15H18N4O2/c20-15(18-13-4-2-1-3-5-13)16-7-8-19-14-6-9-21-11-12(14)10-17-19/h1-5,10H,6-9,11H2,(H2,16,18,20)
InChIKeyLHBWQWNVRZSGHT-UHFFFAOYSA-N
XLogP1.78
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 90615440
1-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-3-(2-ethoxyphenyl)urea
CID 90615426
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]-2-thiophen-2-ylacetamide
CID 90615113
N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-3,3-dimethylbutanamide
CID 90615093
N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-4-propylbenzamide
CID 90615148
1-phenyl-3-(2-pyrazol-1-ylethyl)urea
CID 110747699
1-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-phenylurea
CID 122246350
1-[2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]ethyl]-3-phenylurea
CID 98114313
1-[2-(4-cyclopropyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)ethyl]-3-phenylurea
CID 121078011
3-chloro-N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-4-methoxybenzenesulfonamide
CID 90615376

Frequently Asked Questions

What is the IUPAC name of 1-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-3-phenylurea?
The IUPAC name of 1-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-3-phenylurea (CID 90615402) is 1-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-3-phenylurea.
What is the SMILES notation for 1-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-3-phenylurea?
The canonical SMILES for 1-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-3-phenylurea is O=C(NCCn1ncc2c1CCOC2)Nc1ccccc1.
What is the InChIKey of 1-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-3-phenylurea?
The InChIKey is LHBWQWNVRZSGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c20-15(18-13-4-2-1-3-5-13)16-7-8-19-14-6-9-21-11-12(14)10-17-19/h1-5,10H,6-9,11H2,(H2,16,18,20).
What are the key properties of 1-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-3-phenylurea?
1-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-3-phenylurea has a molecular weight of 286.33 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 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-phenylurea is sourced from PubChem (CID 90615402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).