1-(3,4-dichlorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea

C13H14Cl2N4O — CID 4885280

IUPAC1-(3,4-dichlorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea
SMILESCc1nn(C)c(C)c1NC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H14Cl2N4O/c1-7-12(8(2)19(3)18-7)17-13(20)16-9-4-5-10(14)11(15)6-9/h4-6H,1-3H3,(H2,16,17,20)
InChIKeyDKMZNLLUOHHFOR-UHFFFAOYSA-N
MW313.19 g/mol
LogP3.99
Rot. Bonds2

About 1-(3,4-dichlorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea

1-(3,4-dichlorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea (PubChem CID 4885280) has the molecular formula C13H14Cl2N4O and a molecular weight of 313.19 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea
PubChem CID4885280
Molecular FormulaC13H14Cl2N4O
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC Name1-(3,4-dichlorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea
SMILESCc1nn(C)c(C)c1NC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H14Cl2N4O/c1-7-12(8(2)19(3)18-7)17-13(20)16-9-4-5-10(14)11(15)6-9/h4-6H,1-3H3,(H2,16,17,20)
InChIKeyDKMZNLLUOHHFOR-UHFFFAOYSA-N
XLogP3.99
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dichlorophenyl)-N'-[(1,5-dimethyl-1H-pyrazol-3-yl)methyl]thiourea
CID 2212471
N-(4-chlorophenyl)-N'-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]urea
CID 16193476
N-(3,4-dichlorophenyl)-N'-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]urea
CID 897364
N-(2,3-dichlorophenyl)-N'-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)urea
CID 971083
1-(4-Chlorophenyl)-3-(2,5-dimethylpyrazol-3-yl)urea
CID 2818774
N-(3-chlorophenyl)-N'-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]urea
CID 16194290
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3,4-dichlorophenyl)acetamide
CID 1920872
1-(3,4-Dichlorophenyl)-3-[1-(1,5-dimethylpyrazol-4-yl)ethyl]urea
CID 45877582
1-(3,4-dichlorophenyl)-3-(2-(3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)urea
CID 71808085
1-(3,4-Dichlorophenyl)-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 2168127
1H-Pyrazole-1-carboxamide, N-(4-chlorophenyl)-3,5-dimethyl-
CID 785984
N-(4-fluorophenyl)-N'-(1,3,5-trimethylpyrazole-4-yl)urea
CID 24616525

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea (CID 4885280) is 1-(3,4-dichlorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea is Cc1nn(C)c(C)c1NC(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea?
The InChIKey is DKMZNLLUOHHFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N4O/c1-7-12(8(2)19(3)18-7)17-13(20)16-9-4-5-10(14)11(15)6-9/h4-6H,1-3H3,(H2,16,17,20).
What are the key properties of 1-(3,4-dichlorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea?
1-(3,4-dichlorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea has a molecular weight of 313.19 g/mol, XLogP of 3.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea is sourced from PubChem (CID 4885280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).