1-[1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]-3-(2-hydroxyethyl)urea

C13H14Cl2N4O2 — CID 75447230

IUPAC1-[1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]-3-(2-hydroxyethyl)urea
SMILESCc1cc(NC(=O)NCCO)nn1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H14Cl2N4O2/c1-8-6-12(17-13(21)16-4-5-20)18-19(8)11-3-2-9(14)7-10(11)15/h2-3,6-7,20H,4-5H2,1H3,(H2,16,17,18,21)
InChIKeyGFEHPYBALKFPKB-UHFFFAOYSA-N
MW329.19 g/mol
LogP2.60
Rot. Bonds4

About 1-[1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]-3-(2-hydroxyethyl)urea

1-[1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]-3-(2-hydroxyethyl)urea (PubChem CID 75447230) has the molecular formula C13H14Cl2N4O2 and a molecular weight of 329.19 g/mol. Its IUPAC name is 1-[1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]-3-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-[1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]-3-(2-hydroxyethyl)urea
PubChem CID75447230
Molecular FormulaC13H14Cl2N4O2
Molecular Weight329.19 g/mol
Exact Mass328.05
IUPAC Name1-[1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]-3-(2-hydroxyethyl)urea
SMILESCc1cc(NC(=O)NCCO)nn1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H14Cl2N4O2/c1-8-6-12(17-13(21)16-4-5-20)18-19(8)11-3-2-9(14)7-10(11)15/h2-3,6-7,20H,4-5H2,1H3,(H2,16,17,18,21)
InChIKeyGFEHPYBALKFPKB-UHFFFAOYSA-N
XLogP2.60
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.19
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-Dichlorophenyl)-3-(1-methyl-3-pyrazolyl)urea
CID 970792
N-(N1-(2-Hydroxyethyl)-3-tert-butyl-5-pyrazolyl)-N'-(2,3-dichlorophenyl)urea
CID 9820742
N-[5-(tert-butyl)-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]-N'-morpholinourea
CID 2743140
N-[1-(2,6-dichlorophenyl)-5-methyl-1H-pyrazol-3-yl]-N'-morpholinourea
CID 2743111
N-[5-methyl-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]-N'-morpholinourea
CID 2743113
1-(4-Chlorophenyl)-3-(2,5-dimethylpyrazol-3-yl)urea
CID 2818774
(2R)-N-[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 75447110
(2R)-N-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 75464764
2-acetamido-N-[1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]acetamide
CID 84597031
N-[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]-3-hydroxypiperidine-1-carboxamide
CID 84597471
N-[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]morpholine-4-carboxamide
CID 84597601
N-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]morpholine-4-carboxamide
CID 84597801

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]-3-(2-hydroxyethyl)urea?
The IUPAC name of 1-[1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]-3-(2-hydroxyethyl)urea (CID 75447230) is 1-[1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]-3-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-[1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]-3-(2-hydroxyethyl)urea?
The canonical SMILES for 1-[1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]-3-(2-hydroxyethyl)urea is Cc1cc(NC(=O)NCCO)nn1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]-3-(2-hydroxyethyl)urea?
The InChIKey is GFEHPYBALKFPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N4O2/c1-8-6-12(17-13(21)16-4-5-20)18-19(8)11-3-2-9(14)7-10(11)15/h2-3,6-7,20H,4-5H2,1H3,(H2,16,17,18,21).
What are the key properties of 1-[1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]-3-(2-hydroxyethyl)urea?
1-[1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]-3-(2-hydroxyethyl)urea has a molecular weight of 329.19 g/mol, XLogP of 2.60, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]-3-(2-hydroxyethyl)urea is sourced from PubChem (CID 75447230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).