1-(3-chlorophenyl)-3-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]thiourea

C17H14Cl2N4S — CID 19344144

IUPAC1-(3-chlorophenyl)-3-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]thiourea
SMILESS=C(Nc1cccc(Cl)c1)Nc1cnn(Cc2cccc(Cl)c2)c1
InChIInChI=1S/C17H14Cl2N4S/c18-13-4-1-3-12(7-13)10-23-11-16(9-20-23)22-17(24)21-15-6-2-5-14(19)8-15/h1-9,11H,10H2,(H2,21,22,24)
InChIKeyWUTJNKCYIJXKCW-UHFFFAOYSA-N
MW377.30 g/mol
LogP5.05
Rot. Bonds4

About 1-(3-chlorophenyl)-3-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]thiourea

1-(3-chlorophenyl)-3-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]thiourea (PubChem CID 19344144) has the molecular formula C17H14Cl2N4S and a molecular weight of 377.30 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]thiourea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]thiourea
PubChem CID19344144
Molecular FormulaC17H14Cl2N4S
Molecular Weight377.30 g/mol
Exact Mass376.03
IUPAC Name1-(3-chlorophenyl)-3-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]thiourea
SMILESS=C(Nc1cccc(Cl)c1)Nc1cnn(Cc2cccc(Cl)c2)c1
InChIInChI=1S/C17H14Cl2N4S/c18-13-4-1-3-12(7-13)10-23-11-16(9-20-23)22-17(24)21-15-6-2-5-14(19)8-15/h1-9,11H,10H2,(H2,21,22,24)
InChIKeyWUTJNKCYIJXKCW-UHFFFAOYSA-N
XLogP5.05
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.30
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(3-chlorophenyl)-3-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]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-[(3-chlorophenyl)methyl]pyrazol-4-yl]-3-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]thiourea
CID 19343051
1-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-3-ethylthiourea
CID 19344162
1-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-3-naphthalen-1-ylthiourea
CID 19344135
1-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-3-[1-[(2,3,4,6-tetrafluorophenyl)methyl]pyrazol-4-yl]thiourea
CID 19343653
1-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-3-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]thiourea
CID 19403280
1-(3-chlorophenyl)-3-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]thiourea
CID 17300277
1-(3-chloro-4-fluorophenyl)-3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]thiourea
CID 19344082
1-[3-(4-bromopyrazol-1-yl)propyl]-3-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]thiourea
CID 19334273
1-(1-benzylpyrazol-4-yl)-3-[1-[(3-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]thiourea
CID 19344628
1-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-3-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]thiourea
CID 19344804
1-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]thiourea
CID 19401238
1-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]thiourea
CID 19399454

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]thiourea?
The IUPAC name of 1-(3-chlorophenyl)-3-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]thiourea (CID 19344144) is 1-(3-chlorophenyl)-3-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]thiourea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]thiourea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]thiourea is S=C(Nc1cccc(Cl)c1)Nc1cnn(Cc2cccc(Cl)c2)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]thiourea?
The InChIKey is WUTJNKCYIJXKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N4S/c18-13-4-1-3-12(7-13)10-23-11-16(9-20-23)22-17(24)21-15-6-2-5-14(19)8-15/h1-9,11H,10H2,(H2,21,22,24).
What are the key properties of 1-(3-chlorophenyl)-3-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]thiourea?
1-(3-chlorophenyl)-3-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]thiourea has a molecular weight of 377.30 g/mol, XLogP of 5.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]thiourea is sourced from PubChem (CID 19344144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).