(5S)-3-[(Z)-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione

C20H24ClN5O2 — CID 9297415

IUPAC(5S)-3-[(Z)-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione
SMILESCC[C@@]1(c2ccccc2)NC(=O)N(/N=C\c2c(C)nn(CC(C)C)c2Cl)C1=O
InChIInChI=1S/C20H24ClN5O2/c1-5-20(15-9-7-6-8-10-15)18(27)26(19(28)23-20)22-11-16-14(4)24-25(17(16)21)12-13(2)3/h6-11,13H,5,12H2,1-4H3,(H,23,28)/b22-11-/t20-/m0/s1
InChIKeyMJBYYAPLVYDJKZ-PHZXFRFISA-N
MW401.90 g/mol
LogP3.69
Rot. Bonds6

About (5S)-3-[(Z)-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione

(5S)-3-[(Z)-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione (PubChem CID 9297415) has the molecular formula C20H24ClN5O2 and a molecular weight of 401.90 g/mol. Its IUPAC name is (5S)-3-[(Z)-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[(Z)-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione
PubChem CID9297415
Molecular FormulaC20H24ClN5O2
Molecular Weight401.90 g/mol
Exact Mass401.16
IUPAC Name(5S)-3-[(Z)-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione
SMILESCC[C@@]1(c2ccccc2)NC(=O)N(/N=C\c2c(C)nn(CC(C)C)c2Cl)C1=O
InChIInChI=1S/C20H24ClN5O2/c1-5-20(15-9-7-6-8-10-15)18(27)26(19(28)23-20)22-11-16-14(4)24-25(17(16)21)12-13(2)3/h6-11,13H,5,12H2,1-4H3,(H,23,28)/b22-11-/t20-/m0/s1
InChIKeyMJBYYAPLVYDJKZ-PHZXFRFISA-N
XLogP3.69
TPSA79.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.90
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (5S)-3-[(Z)-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione 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 (5S)-3-[(Z)-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[(Z)-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione (CID 9297415) is (5S)-3-[(Z)-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[(Z)-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[(Z)-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione is CC[C@@]1(c2ccccc2)NC(=O)N(/N=C\c2c(C)nn(CC(C)C)c2Cl)C1=O.
What is the InChIKey of (5S)-3-[(Z)-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione?
The InChIKey is MJBYYAPLVYDJKZ-PHZXFRFISA-N. The full InChI is InChI=1S/C20H24ClN5O2/c1-5-20(15-9-7-6-8-10-15)18(27)26(19(28)23-20)22-11-16-14(4)24-25(17(16)21)12-13(2)3/h6-11,13H,5,12H2,1-4H3,(H,23,28)/b22-11-/t20-/m0/s1.
What are the key properties of (5S)-3-[(Z)-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione?
(5S)-3-[(Z)-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione has a molecular weight of 401.90 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[(Z)-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 9297415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).