1-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-3-[(2,5-dimethylpyrazol-3-yl)methyl]thiourea

C17H18Cl2N6S — CID 19326899

IUPAC1-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-3-[(2,5-dimethylpyrazol-3-yl)methyl]thiourea
SMILESCc1cc(CNC(=S)Nc2cnn(Cc3ccc(Cl)cc3Cl)c2)n(C)n1
InChIInChI=1S/C17H18Cl2N6S/c1-11-5-15(24(2)23-11)8-20-17(26)22-14-7-21-25(10-14)9-12-3-4-13(18)6-16(12)19/h3-7,10H,8-9H2,1-2H3,(H2,20,22,26)
InChIKeyMJZUEQSMPNNPGF-UHFFFAOYSA-N
MW409.35 g/mol
LogP3.77
Rot. Bonds5

About 1-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-3-[(2,5-dimethylpyrazol-3-yl)methyl]thiourea

1-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-3-[(2,5-dimethylpyrazol-3-yl)methyl]thiourea (PubChem CID 19326899) has the molecular formula C17H18Cl2N6S and a molecular weight of 409.35 g/mol. Its IUPAC name is 1-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-3-[(2,5-dimethylpyrazol-3-yl)methyl]thiourea.

Molecular Properties

Compound Name1-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-3-[(2,5-dimethylpyrazol-3-yl)methyl]thiourea
PubChem CID19326899
Molecular FormulaC17H18Cl2N6S
Molecular Weight409.35 g/mol
Exact Mass408.07
IUPAC Name1-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-3-[(2,5-dimethylpyrazol-3-yl)methyl]thiourea
SMILESCc1cc(CNC(=S)Nc2cnn(Cc3ccc(Cl)cc3Cl)c2)n(C)n1
InChIInChI=1S/C17H18Cl2N6S/c1-11-5-15(24(2)23-11)8-20-17(26)22-14-7-21-25(10-14)9-12-3-4-13(18)6-16(12)19/h3-7,10H,8-9H2,1-2H3,(H2,20,22,26)
InChIKeyMJZUEQSMPNNPGF-UHFFFAOYSA-N
XLogP3.77
TPSA59.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.35
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-3-[(2,5-dimethylpyrazol-3-yl)methyl]thiourea 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-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-3-[(1-ethyl-5-methylpyrazol-4-yl)methyl]thiourea
CID 19325091
1-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-3-(2-methylpropyl)thiourea
CID 19679381
1-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-3-(furan-2-ylmethyl)thiourea
CID 19679392
1-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-3-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]thiourea
CID 19334230
1-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]thiourea
CID 19403561
1-(1-benzylpyrazol-4-yl)-3-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]thiourea
CID 19397386
1-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-3-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]thiourea
CID 19395047
1-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]thiourea
CID 19403631
1-(1-benzyl-4-chloropyrazol-3-yl)-3-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]thiourea
CID 19399525
1-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]thiourea
CID 19399454
1-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-3-(2-methoxyphenyl)thiourea
CID 19679341
1-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-3-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]thiourea
CID 19395364

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-3-[(2,5-dimethylpyrazol-3-yl)methyl]thiourea?
The IUPAC name of 1-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-3-[(2,5-dimethylpyrazol-3-yl)methyl]thiourea (CID 19326899) is 1-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-3-[(2,5-dimethylpyrazol-3-yl)methyl]thiourea.
What is the SMILES notation for 1-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-3-[(2,5-dimethylpyrazol-3-yl)methyl]thiourea?
The canonical SMILES for 1-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-3-[(2,5-dimethylpyrazol-3-yl)methyl]thiourea is Cc1cc(CNC(=S)Nc2cnn(Cc3ccc(Cl)cc3Cl)c2)n(C)n1.
What is the InChIKey of 1-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-3-[(2,5-dimethylpyrazol-3-yl)methyl]thiourea?
The InChIKey is MJZUEQSMPNNPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N6S/c1-11-5-15(24(2)23-11)8-20-17(26)22-14-7-21-25(10-14)9-12-3-4-13(18)6-16(12)19/h3-7,10H,8-9H2,1-2H3,(H2,20,22,26).
What are the key properties of 1-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-3-[(2,5-dimethylpyrazol-3-yl)methyl]thiourea?
1-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-3-[(2,5-dimethylpyrazol-3-yl)methyl]thiourea has a molecular weight of 409.35 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-3-[(2,5-dimethylpyrazol-3-yl)methyl]thiourea is sourced from PubChem (CID 19326899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).