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

C17H20N4O — CID 71890441

IUPAC1-cyclopropyl-3-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]urea
SMILESO=C(NCc1nn(-c2ccccc2)c2c1CCC2)NC1CC1
InChIInChI=1S/C17H20N4O/c22-17(19-12-9-10-12)18-11-15-14-7-4-8-16(14)21(20-15)13-5-2-1-3-6-13/h1-3,5-6,12H,4,7-11H2,(H2,18,19,22)
InChIKeyQMMDIBGMWIMPEL-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.32
Rot. Bonds4

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

1-cyclopropyl-3-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]urea (PubChem CID 71890441) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]urea
PubChem CID71890441
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name1-cyclopropyl-3-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]urea
SMILESO=C(NCc1nn(-c2ccccc2)c2c1CCC2)NC1CC1
InChIInChI=1S/C17H20N4O/c22-17(19-12-9-10-12)18-11-15-14-7-4-8-16(14)21(20-15)13-5-2-1-3-6-13/h1-3,5-6,12H,4,7-11H2,(H2,18,19,22)
InChIKeyQMMDIBGMWIMPEL-UHFFFAOYSA-N
XLogP2.32
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-cyclopropyl-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-cyclopropyl-3-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]urea?
The IUPAC name of 1-cyclopropyl-3-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]urea (CID 71890441) is 1-cyclopropyl-3-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]urea is O=C(NCc1nn(-c2ccccc2)c2c1CCC2)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]urea?
The InChIKey is QMMDIBGMWIMPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c22-17(19-12-9-10-12)18-11-15-14-7-4-8-16(14)21(20-15)13-5-2-1-3-6-13/h1-3,5-6,12H,4,7-11H2,(H2,18,19,22).
What are the key properties of 1-cyclopropyl-3-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]urea?
1-cyclopropyl-3-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]urea has a molecular weight of 296.37 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]urea is sourced from PubChem (CID 71890441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).