1-(2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-(2,2,2-trifluoroethyl)urea

C12H17F3N4O — CID 122133050

IUPAC1-(2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-(2,2,2-trifluoroethyl)urea
SMILESCC(C)n1nc2c(c1NC(=O)NCC(F)(F)F)CCC2
InChIInChI=1S/C12H17F3N4O/c1-7(2)19-10(8-4-3-5-9(8)18-19)17-11(20)16-6-12(13,14)15/h7H,3-6H2,1-2H3,(H2,16,17,20)
InChIKeyDDSICJICTLRXKJ-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.64
Rot. Bonds3

About 1-(2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-(2,2,2-trifluoroethyl)urea

1-(2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-(2,2,2-trifluoroethyl)urea (PubChem CID 122133050) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is 1-(2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-(2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-(2,2,2-trifluoroethyl)urea
PubChem CID122133050
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC Name1-(2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-(2,2,2-trifluoroethyl)urea
SMILESCC(C)n1nc2c(c1NC(=O)NCC(F)(F)F)CCC2
InChIInChI=1S/C12H17F3N4O/c1-7(2)19-10(8-4-3-5-9(8)18-19)17-11(20)16-6-12(13,14)15/h7H,3-6H2,1-2H3,(H2,16,17,20)
InChIKeyDDSICJICTLRXKJ-UHFFFAOYSA-N
XLogP2.64
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-(2,2,2-trifluoroethyl)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-(2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-(2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-(2,2,2-trifluoroethyl)urea (CID 122133050) is 1-(2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-(2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-(2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-(2,2,2-trifluoroethyl)urea is CC(C)n1nc2c(c1NC(=O)NCC(F)(F)F)CCC2.
What is the InChIKey of 1-(2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is DDSICJICTLRXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c1-7(2)19-10(8-4-3-5-9(8)18-19)17-11(20)16-6-12(13,14)15/h7H,3-6H2,1-2H3,(H2,16,17,20).
What are the key properties of 1-(2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-(2,2,2-trifluoroethyl)urea?
1-(2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 290.29 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 122133050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).