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

C15H18N4O — CID 47306902

IUPAC1-methyl-3-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]urea
SMILESCNC(=O)NCc1nn(-c2ccccc2)c2c1CCC2
InChIInChI=1S/C15H18N4O/c1-16-15(20)17-10-13-12-8-5-9-14(12)19(18-13)11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3,(H2,16,17,20)
InChIKeyJHMIOTASTJILBL-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.79
Rot. Bonds3

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

1-methyl-3-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]urea (PubChem CID 47306902) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 1-methyl-3-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]urea.

Molecular Properties

Compound Name1-methyl-3-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]urea
PubChem CID47306902
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name1-methyl-3-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]urea
SMILESCNC(=O)NCc1nn(-c2ccccc2)c2c1CCC2
InChIInChI=1S/C15H18N4O/c1-16-15(20)17-10-13-12-8-5-9-14(12)19(18-13)11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3,(H2,16,17,20)
InChIKeyJHMIOTASTJILBL-UHFFFAOYSA-N
XLogP1.79
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]urea?
The IUPAC name of 1-methyl-3-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]urea (CID 47306902) is 1-methyl-3-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]urea.
What is the SMILES notation for 1-methyl-3-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]urea?
The canonical SMILES for 1-methyl-3-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]urea is CNC(=O)NCc1nn(-c2ccccc2)c2c1CCC2.
What is the InChIKey of 1-methyl-3-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]urea?
The InChIKey is JHMIOTASTJILBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-16-15(20)17-10-13-12-8-5-9-14(12)19(18-13)11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3,(H2,16,17,20).
What are the key properties of 1-methyl-3-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]urea?
1-methyl-3-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]urea has a molecular weight of 270.34 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]urea is sourced from PubChem (CID 47306902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).