1-(oxan-4-yl)-3-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]urea

C19H24N4O2 — CID 71938101

IUPAC1-(oxan-4-yl)-3-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]urea
SMILESO=C(NCc1nn(-c2ccccc2)c2c1CCC2)NC1CCOCC1
InChIInChI=1S/C19H24N4O2/c24-19(21-14-9-11-25-12-10-14)20-13-17-16-7-4-8-18(16)23(22-17)15-5-2-1-3-6-15/h1-3,5-6,14H,4,7-13H2,(H2,20,21,24)
InChIKeySOCGYPISPAESOA-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.34
Rot. Bonds4

About 1-(oxan-4-yl)-3-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]urea

1-(oxan-4-yl)-3-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]urea (PubChem CID 71938101) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-(oxan-4-yl)-3-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]urea.

Molecular Properties

Compound Name1-(oxan-4-yl)-3-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]urea
PubChem CID71938101
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name1-(oxan-4-yl)-3-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]urea
SMILESO=C(NCc1nn(-c2ccccc2)c2c1CCC2)NC1CCOCC1
InChIInChI=1S/C19H24N4O2/c24-19(21-14-9-11-25-12-10-14)20-13-17-16-7-4-8-18(16)23(22-17)15-5-2-1-3-6-15/h1-3,5-6,14H,4,7-13H2,(H2,20,21,24)
InChIKeySOCGYPISPAESOA-UHFFFAOYSA-N
XLogP2.34
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(oxan-4-yl)-3-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-3-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]urea?
The IUPAC name of 1-(oxan-4-yl)-3-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]urea (CID 71938101) is 1-(oxan-4-yl)-3-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]urea.
What is the SMILES notation for 1-(oxan-4-yl)-3-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]urea?
The canonical SMILES for 1-(oxan-4-yl)-3-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]urea is O=C(NCc1nn(-c2ccccc2)c2c1CCC2)NC1CCOCC1.
What is the InChIKey of 1-(oxan-4-yl)-3-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]urea?
The InChIKey is SOCGYPISPAESOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c24-19(21-14-9-11-25-12-10-14)20-13-17-16-7-4-8-18(16)23(22-17)15-5-2-1-3-6-15/h1-3,5-6,14H,4,7-13H2,(H2,20,21,24).
What are the key properties of 1-(oxan-4-yl)-3-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]urea?
1-(oxan-4-yl)-3-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]urea has a molecular weight of 340.43 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-3-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]urea is sourced from PubChem (CID 71938101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).