1-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-3-(3,5-dichlorophenyl)thiourea

C14H15Cl3N4S — CID 17265329

IUPAC1-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-3-(3,5-dichlorophenyl)thiourea
SMILESCc1c(Cl)cnn1CCCNC(=S)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H15Cl3N4S/c1-9-13(17)8-19-21(9)4-2-3-18-14(22)20-12-6-10(15)5-11(16)7-12/h5-8H,2-4H2,1H3,(H2,18,20,22)
InChIKeyHKGRDOIHHCVHIS-UHFFFAOYSA-N
MW377.73 g/mol
LogP4.53
Rot. Bonds5

About 1-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-3-(3,5-dichlorophenyl)thiourea

1-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-3-(3,5-dichlorophenyl)thiourea (PubChem CID 17265329) has the molecular formula C14H15Cl3N4S and a molecular weight of 377.73 g/mol. Its IUPAC name is 1-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-3-(3,5-dichlorophenyl)thiourea.

Molecular Properties

Compound Name1-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-3-(3,5-dichlorophenyl)thiourea
PubChem CID17265329
Molecular FormulaC14H15Cl3N4S
Molecular Weight377.73 g/mol
Exact Mass376.01
IUPAC Name1-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-3-(3,5-dichlorophenyl)thiourea
SMILESCc1c(Cl)cnn1CCCNC(=S)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H15Cl3N4S/c1-9-13(17)8-19-21(9)4-2-3-18-14(22)20-12-6-10(15)5-11(16)7-12/h5-8H,2-4H2,1H3,(H2,18,20,22)
InChIKeyHKGRDOIHHCVHIS-UHFFFAOYSA-N
XLogP4.53
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.73
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-3-(3,5-dichlorophenyl)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-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-3-(3,4-dimethylphenyl)thiourea
CID 17255319
1-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-3-(3-fluorophenyl)thiourea
CID 17266760
1-(3,5-dichlorophenyl)-3-pentylthiourea
CID 3716140
1-(3-chlorophenyl)-3-[3-(4-methylpyrazol-1-yl)propyl]thiourea
CID 19572965
1-(3,4-dichlorophenyl)-3-[3-(4-methylpyrazol-1-yl)propyl]thiourea
CID 19572992
1-(3,5-dichlorophenyl)-3-(2-methoxyethyl)thiourea
CID 8658308
3-(4-chloro-5-methylpyrazol-1-yl)-N-[3-(4-chloropyrazol-1-yl)propyl]propanamide
CID 19554002
1-(3,5-dichlorophenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea
CID 30948649
1-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-3-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]thiourea
CID 19572831
4-amino-N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-1-methylpyrazole-3-carboxamide
CID 19620405
4-[3-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]butanoyl chloride
CID 19552342
methyl 6-[(3,5-dichlorophenyl)carbamothioylamino]hexanoate
CID 8658320

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-3-(3,5-dichlorophenyl)thiourea?
The IUPAC name of 1-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-3-(3,5-dichlorophenyl)thiourea (CID 17265329) is 1-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-3-(3,5-dichlorophenyl)thiourea.
What is the SMILES notation for 1-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-3-(3,5-dichlorophenyl)thiourea?
The canonical SMILES for 1-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-3-(3,5-dichlorophenyl)thiourea is Cc1c(Cl)cnn1CCCNC(=S)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-3-(3,5-dichlorophenyl)thiourea?
The InChIKey is HKGRDOIHHCVHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl3N4S/c1-9-13(17)8-19-21(9)4-2-3-18-14(22)20-12-6-10(15)5-11(16)7-12/h5-8H,2-4H2,1H3,(H2,18,20,22).
What are the key properties of 1-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-3-(3,5-dichlorophenyl)thiourea?
1-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-3-(3,5-dichlorophenyl)thiourea has a molecular weight of 377.73 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-3-(3,5-dichlorophenyl)thiourea is sourced from PubChem (CID 17265329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).