1-(2,4-dichlorophenyl)-3-[1-(1,3-dimethylpyrazol-4-yl)ethyl]thiourea

C14H16Cl2N4S — CID 19469263

IUPAC1-(2,4-dichlorophenyl)-3-[1-(1,3-dimethylpyrazol-4-yl)ethyl]thiourea
SMILESCc1nn(C)cc1C(C)NC(=S)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H16Cl2N4S/c1-8(11-7-20(3)19-9(11)2)17-14(21)18-13-5-4-10(15)6-12(13)16/h4-8H,1-3H3,(H2,17,18,21)
InChIKeyWMWNRVLWZNTLCY-UHFFFAOYSA-N
MW343.28 g/mol
LogP4.08
Rot. Bonds3

About 1-(2,4-dichlorophenyl)-3-[1-(1,3-dimethylpyrazol-4-yl)ethyl]thiourea

1-(2,4-dichlorophenyl)-3-[1-(1,3-dimethylpyrazol-4-yl)ethyl]thiourea (PubChem CID 19469263) has the molecular formula C14H16Cl2N4S and a molecular weight of 343.28 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-3-[1-(1,3-dimethylpyrazol-4-yl)ethyl]thiourea.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-3-[1-(1,3-dimethylpyrazol-4-yl)ethyl]thiourea
PubChem CID19469263
Molecular FormulaC14H16Cl2N4S
Molecular Weight343.28 g/mol
Exact Mass342.05
IUPAC Name1-(2,4-dichlorophenyl)-3-[1-(1,3-dimethylpyrazol-4-yl)ethyl]thiourea
SMILESCc1nn(C)cc1C(C)NC(=S)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H16Cl2N4S/c1-8(11-7-20(3)19-9(11)2)17-14(21)18-13-5-4-10(15)6-12(13)16/h4-8H,1-3H3,(H2,17,18,21)
InChIKeyWMWNRVLWZNTLCY-UHFFFAOYSA-N
XLogP4.08
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.28
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-dichlorophenyl)-3-[(1R)-1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]thiourea
CID 2212322
N-(2,4-dichlorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285316
1-(2,4-dichlorophenyl)-3-(3,3-dimethylbutan-2-yl)thiourea
CID 19676369
1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-propylthiourea
CID 19469249
1-(2,4-dichlorophenyl)-3-[2,6-di(propan-2-yl)phenyl]thiourea
CID 19687856
1-(4-bromo-2-chlorophenyl)-3-[1-(1,5-dimethylpyrazol-4-yl)ethyl]thiourea
CID 2955991
methyl 4-chloro-2-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]benzoate
CID 65192222
1-(2,4-dichlorophenyl)-3-methylthiourea
CID 3310564
2-chloro-4-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]phenol
CID 107678355
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3,5-dimethylaniline
CID 65192459
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,4-difluoroaniline
CID 65192411
5-amino-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methylbenzamide;hydrochloride
CID 120624555

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-3-[1-(1,3-dimethylpyrazol-4-yl)ethyl]thiourea?
The IUPAC name of 1-(2,4-dichlorophenyl)-3-[1-(1,3-dimethylpyrazol-4-yl)ethyl]thiourea (CID 19469263) is 1-(2,4-dichlorophenyl)-3-[1-(1,3-dimethylpyrazol-4-yl)ethyl]thiourea.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-3-[1-(1,3-dimethylpyrazol-4-yl)ethyl]thiourea?
The canonical SMILES for 1-(2,4-dichlorophenyl)-3-[1-(1,3-dimethylpyrazol-4-yl)ethyl]thiourea is Cc1nn(C)cc1C(C)NC(=S)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-3-[1-(1,3-dimethylpyrazol-4-yl)ethyl]thiourea?
The InChIKey is WMWNRVLWZNTLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N4S/c1-8(11-7-20(3)19-9(11)2)17-14(21)18-13-5-4-10(15)6-12(13)16/h4-8H,1-3H3,(H2,17,18,21).
What are the key properties of 1-(2,4-dichlorophenyl)-3-[1-(1,3-dimethylpyrazol-4-yl)ethyl]thiourea?
1-(2,4-dichlorophenyl)-3-[1-(1,3-dimethylpyrazol-4-yl)ethyl]thiourea has a molecular weight of 343.28 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-3-[1-(1,3-dimethylpyrazol-4-yl)ethyl]thiourea is sourced from PubChem (CID 19469263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).