[4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]phenyl]sulfonylurea

C18H17N5O4S — CID 3822074

IUPAC[4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]phenyl]sulfonylurea
SMILESCc1[nH]n(-c2ccccc2)c(=O)c1/C=N/c1ccc(S(=O)(=O)NC(N)=O)cc1
InChIInChI=1S/C18H17N5O4S/c1-12-16(17(24)23(21-12)14-5-3-2-4-6-14)11-20-13-7-9-15(10-8-13)28(26,27)22-18(19)25/h2-11,21H,1H3,(H3,19,22,25)/b20-11+
InChIKeyMLPKBGVPQKAYRA-RGVLZGJSSA-N
MW399.43 g/mol
LogP1.58
Rot. Bonds5

About [4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]phenyl]sulfonylurea

[4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]phenyl]sulfonylurea (PubChem CID 3822074) has the molecular formula C18H17N5O4S and a molecular weight of 399.43 g/mol. Its IUPAC name is [4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]phenyl]sulfonylurea.

Molecular Properties

Compound Name[4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]phenyl]sulfonylurea
PubChem CID3822074
Molecular FormulaC18H17N5O4S
Molecular Weight399.43 g/mol
Exact Mass399.10
IUPAC Name[4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]phenyl]sulfonylurea
SMILESCc1[nH]n(-c2ccccc2)c(=O)c1/C=N/c1ccc(S(=O)(=O)NC(N)=O)cc1
InChIInChI=1S/C18H17N5O4S/c1-12-16(17(24)23(21-12)14-5-3-2-4-6-14)11-20-13-7-9-15(10-8-13)28(26,27)22-18(19)25/h2-11,21H,1H3,(H3,19,22,25)/b20-11+
InChIKeyMLPKBGVPQKAYRA-RGVLZGJSSA-N
XLogP1.58
TPSA139.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]phenyl]sulfonylurea 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

1-[4-(Aminosulfonyl)phenyl]-1,6-dihydropyrazolo[3,4-E]indazole-3-carboxamide
CID 5331010
Dihydro-benzodipyrazole deriv. 7b
CID 5331012
Dihydro-benzodipyrazole deriv. 7c
CID 5331014
Dihydro-benzodipyrazole deriv. 7d
CID 5331016
4-amino-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)benzenesulfonamide
CID 1032881
4-{[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)methyl]amino} benzene sulfonamide (5f)
CID 86766203
Dihydro-benzodipyrazole deriv. 9d
CID 5331075
Dihydro-benzodipyrazole deriv. 12d
CID 5331077
4-{[(Z)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}benzenesulfonamide
CID 3698265
Dipotassium p-(4,5-dihydro-4-((5-hydroxy-3-methyl-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl)methylene)-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonate
CID 5491256
4-({[1-(2,4-dimethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-N-methylbenzenesulfonamide
CID 1048688
N-carbamimidoyl-4-{[(Z)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}benzenesulfonamide
CID 3277810

Frequently Asked Questions

What is the IUPAC name of [4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]phenyl]sulfonylurea?
The IUPAC name of [4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]phenyl]sulfonylurea (CID 3822074) is [4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]phenyl]sulfonylurea.
What is the SMILES notation for [4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]phenyl]sulfonylurea?
The canonical SMILES for [4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]phenyl]sulfonylurea is Cc1[nH]n(-c2ccccc2)c(=O)c1/C=N/c1ccc(S(=O)(=O)NC(N)=O)cc1.
What is the InChIKey of [4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]phenyl]sulfonylurea?
The InChIKey is MLPKBGVPQKAYRA-RGVLZGJSSA-N. The full InChI is InChI=1S/C18H17N5O4S/c1-12-16(17(24)23(21-12)14-5-3-2-4-6-14)11-20-13-7-9-15(10-8-13)28(26,27)22-18(19)25/h2-11,21H,1H3,(H3,19,22,25)/b20-11+.
What are the key properties of [4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]phenyl]sulfonylurea?
[4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]phenyl]sulfonylurea has a molecular weight of 399.43 g/mol, XLogP of 1.58, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]phenyl]sulfonylurea is sourced from PubChem (CID 3822074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).