1-(2,3-dichlorophenyl)-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)urea

C14H16Cl2N4O — CID 971083

IUPAC1-(2,3-dichlorophenyl)-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)urea
SMILESCCn1nc(C)c(NC(=O)Nc2cccc(Cl)c2Cl)c1C
InChIInChI=1S/C14H16Cl2N4O/c1-4-20-9(3)13(8(2)19-20)18-14(21)17-11-7-5-6-10(15)12(11)16/h5-7H,4H2,1-3H3,(H2,17,18,21)
InChIKeyQPDAUDLKLGLCPX-UHFFFAOYSA-N
MW327.22 g/mol
LogP4.47
Rot. Bonds3

About 1-(2,3-dichlorophenyl)-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)urea

1-(2,3-dichlorophenyl)-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)urea (PubChem CID 971083) has the molecular formula C14H16Cl2N4O and a molecular weight of 327.22 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)urea
PubChem CID971083
Molecular FormulaC14H16Cl2N4O
Molecular Weight327.22 g/mol
Exact Mass326.07
IUPAC Name1-(2,3-dichlorophenyl)-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)urea
SMILESCCn1nc(C)c(NC(=O)Nc2cccc(Cl)c2Cl)c1C
InChIInChI=1S/C14H16Cl2N4O/c1-4-20-9(3)13(8(2)19-20)18-14(21)17-11-7-5-6-10(15)12(11)16/h5-7H,4H2,1-3H3,(H2,17,18,21)
InChIKeyQPDAUDLKLGLCPX-UHFFFAOYSA-N
XLogP4.47
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 54.47
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
1-(3,4-Dichlorophenyl)-3-(1,3,5-trimethyl-4-pyrazolyl)urea
CID 4885280
N-(3,4-dichlorophenyl)-N'-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]urea
CID 897364
1-[1-(2,2,2-Trifluoroethyl)-3-tert-butyl-1H-pyrazole-5-yl]-3-(2,3-dichlorophenyl)urea
CID 9887720
1-[5-tert-Butyl-2-(2-cyano-ethyl)-2H-pyrazol-3-yl]-3-(2,3-dichloro-phenyl)-urea
CID 9907874
1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-(2,3-dichloro-phenyl)-urea
CID 44286449
N-(2,4-dichlorophenyl)-N'-(1-phenyl-5-propyl-1H-pyrazol-4-yl)urea
CID 2807999
1-(2,3-Dichlorophenyl)-3-(2-methylpyrazol-3-yl)urea
CID 2808879
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
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,3-dichlorophenyl)acetamide
CID 1113733
2-[3-Tert-butyl-5-[(2,3-dichlorophenyl)carbamoylamino]pyrazol-1-yl]acetamide
CID 44304583

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)urea?
The IUPAC name of 1-(2,3-dichlorophenyl)-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)urea (CID 971083) is 1-(2,3-dichlorophenyl)-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)urea.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)urea?
The canonical SMILES for 1-(2,3-dichlorophenyl)-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)urea is CCn1nc(C)c(NC(=O)Nc2cccc(Cl)c2Cl)c1C.
What is the InChIKey of 1-(2,3-dichlorophenyl)-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)urea?
The InChIKey is QPDAUDLKLGLCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N4O/c1-4-20-9(3)13(8(2)19-20)18-14(21)17-11-7-5-6-10(15)12(11)16/h5-7H,4H2,1-3H3,(H2,17,18,21).
What are the key properties of 1-(2,3-dichlorophenyl)-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)urea?
1-(2,3-dichlorophenyl)-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)urea has a molecular weight of 327.22 g/mol, XLogP of 4.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)urea is sourced from PubChem (CID 971083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).