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

C20H26N4O — CID 86266597

IUPAC1-cyclopentyl-1-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-3-phenylurea
SMILESCn1nc(CN(C(=O)Nc2ccccc2)C2CCCC2)c2c1CCC2
InChIInChI=1S/C20H26N4O/c1-23-19-13-7-12-17(19)18(22-23)14-24(16-10-5-6-11-16)20(25)21-15-8-3-2-4-9-15/h2-4,8-9,16H,5-7,10-14H2,1H3,(H,21,25)
InChIKeyUSBYSPWDMLCKRV-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.89
Rot. Bonds4

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

1-cyclopentyl-1-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-3-phenylurea (PubChem CID 86266597) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-cyclopentyl-1-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-3-phenylurea.

Molecular Properties

Compound Name1-cyclopentyl-1-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-3-phenylurea
PubChem CID86266597
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Name1-cyclopentyl-1-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-3-phenylurea
SMILESCn1nc(CN(C(=O)Nc2ccccc2)C2CCCC2)c2c1CCC2
InChIInChI=1S/C20H26N4O/c1-23-19-13-7-12-17(19)18(22-23)14-24(16-10-5-6-11-16)20(25)21-15-8-3-2-4-9-15/h2-4,8-9,16H,5-7,10-14H2,1H3,(H,21,25)
InChIKeyUSBYSPWDMLCKRV-UHFFFAOYSA-N
XLogP3.89
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-1-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-3-phenylurea?
The IUPAC name of 1-cyclopentyl-1-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-3-phenylurea (CID 86266597) is 1-cyclopentyl-1-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-3-phenylurea.
What is the SMILES notation for 1-cyclopentyl-1-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-3-phenylurea?
The canonical SMILES for 1-cyclopentyl-1-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-3-phenylurea is Cn1nc(CN(C(=O)Nc2ccccc2)C2CCCC2)c2c1CCC2.
What is the InChIKey of 1-cyclopentyl-1-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-3-phenylurea?
The InChIKey is USBYSPWDMLCKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-23-19-13-7-12-17(19)18(22-23)14-24(16-10-5-6-11-16)20(25)21-15-8-3-2-4-9-15/h2-4,8-9,16H,5-7,10-14H2,1H3,(H,21,25).
What are the key properties of 1-cyclopentyl-1-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-3-phenylurea?
1-cyclopentyl-1-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-3-phenylurea has a molecular weight of 338.45 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-1-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-3-phenylurea is sourced from PubChem (CID 86266597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).