1-[(1S,4S)-4-[1-(4-tert-butylphenyl)-3,5-dimethylpyrazol-4-yl]cyclopent-2-en-1-yl]-3-ethylurea

C23H32N4O — CID 28960230

IUPAC1-[(1S,4S)-4-[1-(4-tert-butylphenyl)-3,5-dimethylpyrazol-4-yl]cyclopent-2-en-1-yl]-3-ethylurea
SMILESCCNC(=O)N[C@@H]1C=C[C@@H](c2c(C)nn(-c3ccc(C(C)(C)C)cc3)c2C)C1
InChIInChI=1S/C23H32N4O/c1-7-24-22(28)25-19-11-8-17(14-19)21-15(2)26-27(16(21)3)20-12-9-18(10-13-20)23(4,5)6/h8-13,17,19H,7,14H2,1-6H3,(H2,24,25,28)/t17-,19-/m1/s1
InChIKeyGKYFVBIYFXRFKB-IEBWSBKVSA-N
MW380.54 g/mol
LogP4.52
Rot. Bonds4

About 1-[(1S,4S)-4-[1-(4-tert-butylphenyl)-3,5-dimethylpyrazol-4-yl]cyclopent-2-en-1-yl]-3-ethylurea

1-[(1S,4S)-4-[1-(4-tert-butylphenyl)-3,5-dimethylpyrazol-4-yl]cyclopent-2-en-1-yl]-3-ethylurea (PubChem CID 28960230) has the molecular formula C23H32N4O and a molecular weight of 380.54 g/mol. Its IUPAC name is 1-[(1S,4S)-4-[1-(4-tert-butylphenyl)-3,5-dimethylpyrazol-4-yl]cyclopent-2-en-1-yl]-3-ethylurea.

Molecular Properties

Compound Name1-[(1S,4S)-4-[1-(4-tert-butylphenyl)-3,5-dimethylpyrazol-4-yl]cyclopent-2-en-1-yl]-3-ethylurea
PubChem CID28960230
Molecular FormulaC23H32N4O
Molecular Weight380.54 g/mol
Exact Mass380.26
IUPAC Name1-[(1S,4S)-4-[1-(4-tert-butylphenyl)-3,5-dimethylpyrazol-4-yl]cyclopent-2-en-1-yl]-3-ethylurea
SMILESCCNC(=O)N[C@@H]1C=C[C@@H](c2c(C)nn(-c3ccc(C(C)(C)C)cc3)c2C)C1
InChIInChI=1S/C23H32N4O/c1-7-24-22(28)25-19-11-8-17(14-19)21-15(2)26-27(16(21)3)20-12-9-18(10-13-20)23(4,5)6/h8-13,17,19H,7,14H2,1-6H3,(H2,24,25,28)/t17-,19-/m1/s1
InChIKeyGKYFVBIYFXRFKB-IEBWSBKVSA-N
XLogP4.52
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[(1S,4S)-4-[1-(4-tert-butylphenyl)-3,5-dimethylpyrazol-4-yl]cyclopent-2-en-1-yl]-3-ethylurea 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-[(1S,4S)-4-[1-(4-tert-butylphenyl)-3,5-dimethylpyrazol-4-yl]cyclopent-2-en-1-yl]-3-ethylurea?
The IUPAC name of 1-[(1S,4S)-4-[1-(4-tert-butylphenyl)-3,5-dimethylpyrazol-4-yl]cyclopent-2-en-1-yl]-3-ethylurea (CID 28960230) is 1-[(1S,4S)-4-[1-(4-tert-butylphenyl)-3,5-dimethylpyrazol-4-yl]cyclopent-2-en-1-yl]-3-ethylurea.
What is the SMILES notation for 1-[(1S,4S)-4-[1-(4-tert-butylphenyl)-3,5-dimethylpyrazol-4-yl]cyclopent-2-en-1-yl]-3-ethylurea?
The canonical SMILES for 1-[(1S,4S)-4-[1-(4-tert-butylphenyl)-3,5-dimethylpyrazol-4-yl]cyclopent-2-en-1-yl]-3-ethylurea is CCNC(=O)N[C@@H]1C=C[C@@H](c2c(C)nn(-c3ccc(C(C)(C)C)cc3)c2C)C1.
What is the InChIKey of 1-[(1S,4S)-4-[1-(4-tert-butylphenyl)-3,5-dimethylpyrazol-4-yl]cyclopent-2-en-1-yl]-3-ethylurea?
The InChIKey is GKYFVBIYFXRFKB-IEBWSBKVSA-N. The full InChI is InChI=1S/C23H32N4O/c1-7-24-22(28)25-19-11-8-17(14-19)21-15(2)26-27(16(21)3)20-12-9-18(10-13-20)23(4,5)6/h8-13,17,19H,7,14H2,1-6H3,(H2,24,25,28)/t17-,19-/m1/s1.
What are the key properties of 1-[(1S,4S)-4-[1-(4-tert-butylphenyl)-3,5-dimethylpyrazol-4-yl]cyclopent-2-en-1-yl]-3-ethylurea?
1-[(1S,4S)-4-[1-(4-tert-butylphenyl)-3,5-dimethylpyrazol-4-yl]cyclopent-2-en-1-yl]-3-ethylurea has a molecular weight of 380.54 g/mol, XLogP of 4.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,4S)-4-[1-(4-tert-butylphenyl)-3,5-dimethylpyrazol-4-yl]cyclopent-2-en-1-yl]-3-ethylurea is sourced from PubChem (CID 28960230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).