1-(3,4-dichlorophenyl)-3-(5-ethyl-1H-pyrazol-3-yl)urea

C12H12Cl2N4O — CID 104620378

IUPAC1-(3,4-dichlorophenyl)-3-(5-ethyl-1H-pyrazol-3-yl)urea
SMILESCCc1cc(NC(=O)Nc2ccc(Cl)c(Cl)c2)n[nH]1
InChIInChI=1S/C12H12Cl2N4O/c1-2-7-6-11(18-17-7)16-12(19)15-8-3-4-9(13)10(14)5-8/h3-6H,2H2,1H3,(H3,15,16,17,18,19)
InChIKeyMJMRFAOUKWNHKU-UHFFFAOYSA-N
MW299.16 g/mol
LogP3.92
Rot. Bonds3

About 1-(3,4-dichlorophenyl)-3-(5-ethyl-1H-pyrazol-3-yl)urea

1-(3,4-dichlorophenyl)-3-(5-ethyl-1H-pyrazol-3-yl)urea (PubChem CID 104620378) has the molecular formula C12H12Cl2N4O and a molecular weight of 299.16 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-(5-ethyl-1H-pyrazol-3-yl)urea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-(5-ethyl-1H-pyrazol-3-yl)urea
PubChem CID104620378
Molecular FormulaC12H12Cl2N4O
Molecular Weight299.16 g/mol
Exact Mass298.04
IUPAC Name1-(3,4-dichlorophenyl)-3-(5-ethyl-1H-pyrazol-3-yl)urea
SMILESCCc1cc(NC(=O)Nc2ccc(Cl)c(Cl)c2)n[nH]1
InChIInChI=1S/C12H12Cl2N4O/c1-2-7-6-11(18-17-7)16-12(19)15-8-3-4-9(13)10(14)5-8/h3-6H,2H2,1H3,(H3,15,16,17,18,19)
InChIKeyMJMRFAOUKWNHKU-UHFFFAOYSA-N
XLogP3.92
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-(3,4-dichlorophenyl)-3-(5-ethyl-1H-pyrazol-3-yl)urea 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-(5-ethyl-1H-pyrazol-3-yl)-3-(4-methylphenyl)urea
CID 104620407
1-(5-chloro-6-methyl-3-pyridinyl)-3-(5-ethyl-1H-pyrazol-3-yl)urea
CID 166286412
2-(2,4-dichlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)acetamide
CID 47423250
1-(3-chlorophenyl)-3-(5-propyl-1H-pyrazol-3-yl)urea
CID 104620440
2,6-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
CID 113433751
1-(3-amino-4-ethylphenyl)-3-(3,4-dichlorophenyl)urea
CID 43551526
1-(2,4-difluorophenyl)-3-(5-ethyl-1H-pyrazol-3-yl)urea
CID 104620412
(5-ethyl-1H-pyrazol-3-yl)urea
CID 104620406
2-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-4-methylbenzamide
CID 106512250
1-[5-tert-butyl-3-[(3,4-dichlorophenyl)carbamoylamino]-2-ethylphenyl]-3-(3,4-dichlorophenyl)urea
CID 171980838
3-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-4-fluorobenzamide
CID 113263522
4-(carbamoylamino)-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
CID 115593799

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-(5-ethyl-1H-pyrazol-3-yl)urea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-(5-ethyl-1H-pyrazol-3-yl)urea (CID 104620378) is 1-(3,4-dichlorophenyl)-3-(5-ethyl-1H-pyrazol-3-yl)urea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-(5-ethyl-1H-pyrazol-3-yl)urea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-(5-ethyl-1H-pyrazol-3-yl)urea is CCc1cc(NC(=O)Nc2ccc(Cl)c(Cl)c2)n[nH]1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-(5-ethyl-1H-pyrazol-3-yl)urea?
The InChIKey is MJMRFAOUKWNHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N4O/c1-2-7-6-11(18-17-7)16-12(19)15-8-3-4-9(13)10(14)5-8/h3-6H,2H2,1H3,(H3,15,16,17,18,19).
What are the key properties of 1-(3,4-dichlorophenyl)-3-(5-ethyl-1H-pyrazol-3-yl)urea?
1-(3,4-dichlorophenyl)-3-(5-ethyl-1H-pyrazol-3-yl)urea has a molecular weight of 299.16 g/mol, XLogP of 3.92, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-(5-ethyl-1H-pyrazol-3-yl)urea is sourced from PubChem (CID 104620378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).