[(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)amino] N-(3,4-dichlorophenyl)carbamate

C17H12Cl2N4O3 — CID 4291581

IUPAC[(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)amino] N-(3,4-dichlorophenyl)carbamate
SMILESCC1=NN(c2ccccc2)C(=O)C1=NOC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H12Cl2N4O3/c1-10-15(16(24)23(21-10)12-5-3-2-4-6-12)22-26-17(25)20-11-7-8-13(18)14(19)9-11/h2-9H,1H3,(H,20,25)
InChIKeySTURUUYZPBDENA-UHFFFAOYSA-N
MW391.21 g/mol
LogP4.32
Rot. Bonds3

About [(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)amino] N-(3,4-dichlorophenyl)carbamate

[(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)amino] N-(3,4-dichlorophenyl)carbamate (PubChem CID 4291581) has the molecular formula C17H12Cl2N4O3 and a molecular weight of 391.21 g/mol. Its IUPAC name is [(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)amino] N-(3,4-dichlorophenyl)carbamate.

Molecular Properties

Compound Name[(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)amino] N-(3,4-dichlorophenyl)carbamate
PubChem CID4291581
Molecular FormulaC17H12Cl2N4O3
Molecular Weight391.21 g/mol
Exact Mass390.03
IUPAC Name[(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)amino] N-(3,4-dichlorophenyl)carbamate
SMILESCC1=NN(c2ccccc2)C(=O)C1=NOC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H12Cl2N4O3/c1-10-15(16(24)23(21-10)12-5-3-2-4-6-12)22-26-17(25)20-11-7-8-13(18)14(19)9-11/h2-9H,1H3,(H,20,25)
InChIKeySTURUUYZPBDENA-UHFFFAOYSA-N
XLogP4.32
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.21
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_fives(89)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)amino] N-(3,4-dichlorophenyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)amino] 2-[4-(dimethylamino)pyridin-1-ium-1-yl]acetate
CID 74020669
N-(3,4-dichlorophenyl)-1,3-dioxo-2-phenylisoindole-5-carboxamide
CID 1350530
N-(3,4-dichlorophenyl)-5-methyl-2-phenyltriazole-4-carboxamide
CID 26085730
5-methyl-2-phenyl-4-(2,4,6-trimethoxyphenyl)iminopyrazol-3-one
CID 91743625
[1-(4-methylphenyl)dodecylideneamino] N-(3,4-dichlorophenyl)carbamate
CID 4164861
1-(3,4-dichlorophenyl)-3-(3,5-dimethyl-1,2,4-triazol-4-yl)urea
CID 100818916
N-(4-bromo-3-chlorophenyl)-2-[2-methoxy-4-[(E)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]phenoxy]acetamide
CID 6521429
N-(4-bromo-3-chlorophenyl)-2-[2-methoxy-4-[(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]phenoxy]acetamide
CID 4075865
N-(4-bromo-3-chlorophenyl)-2-[2-methoxy-4-[(Z)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]phenoxy]acetamide
CID 6003927
1-(3,4-dichlorophenyl)-3-(1-phenyl-4,5-dihydroimidazol-2-yl)urea
CID 11046301
(4Z)-2-(3,4-dichlorophenyl)-4-[(2-hydroxyphenyl)methylidene]-5-methylpyrazol-3-one
CID 135832985
1-[amino(phenyl)methylidene]-3-(3,4-dichlorophenyl)urea
CID 125466393

Frequently Asked Questions

What is the IUPAC name of [(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)amino] N-(3,4-dichlorophenyl)carbamate?
The IUPAC name of [(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)amino] N-(3,4-dichlorophenyl)carbamate (CID 4291581) is [(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)amino] N-(3,4-dichlorophenyl)carbamate.
What is the SMILES notation for [(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)amino] N-(3,4-dichlorophenyl)carbamate?
The canonical SMILES for [(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)amino] N-(3,4-dichlorophenyl)carbamate is CC1=NN(c2ccccc2)C(=O)C1=NOC(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of [(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)amino] N-(3,4-dichlorophenyl)carbamate?
The InChIKey is STURUUYZPBDENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N4O3/c1-10-15(16(24)23(21-10)12-5-3-2-4-6-12)22-26-17(25)20-11-7-8-13(18)14(19)9-11/h2-9H,1H3,(H,20,25).
What are the key properties of [(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)amino] N-(3,4-dichlorophenyl)carbamate?
[(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)amino] N-(3,4-dichlorophenyl)carbamate has a molecular weight of 391.21 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)amino] N-(3,4-dichlorophenyl)carbamate is sourced from PubChem (CID 4291581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).