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

C15H18Cl2N4O — CID 75522807

IUPAC1-[2-(3,5-dichlorophenyl)ethyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
SMILESCn1nccc1CCNC(=O)NCCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H18Cl2N4O/c1-21-14(4-7-20-21)3-6-19-15(22)18-5-2-11-8-12(16)10-13(17)9-11/h4,7-10H,2-3,5-6H2,1H3,(H2,18,19,22)
InChIKeyZPMITNYJNMDWDB-UHFFFAOYSA-N
MW341.24 g/mol
LogP2.81
Rot. Bonds6

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

1-[2-(3,5-dichlorophenyl)ethyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]urea (PubChem CID 75522807) has the molecular formula C15H18Cl2N4O and a molecular weight of 341.24 g/mol. Its IUPAC name is 1-[2-(3,5-dichlorophenyl)ethyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-[2-(3,5-dichlorophenyl)ethyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
PubChem CID75522807
Molecular FormulaC15H18Cl2N4O
Molecular Weight341.24 g/mol
Exact Mass340.09
IUPAC Name1-[2-(3,5-dichlorophenyl)ethyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
SMILESCn1nccc1CCNC(=O)NCCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H18Cl2N4O/c1-21-14(4-7-20-21)3-6-19-15(22)18-5-2-11-8-12(16)10-13(17)9-11/h4,7-10H,2-3,5-6H2,1H3,(H2,18,19,22)
InChIKeyZPMITNYJNMDWDB-UHFFFAOYSA-N
XLogP2.81
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.24
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
CID 104693382
1-[2-(2-methylpyrazol-3-yl)ethyl]-3-propan-2-ylurea
CID 104693386
5-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]furan-2-carboxamide
CID 104693705
3-chloro-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide
CID 103005493
5-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 103005665
1-[(6-methoxynaphthalen-2-yl)methyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
CID 75478004
(2S)-3-hydroxy-2-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]propanoic acid
CID 103009431
6-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridazine-3-carboxamide
CID 103005660
1-cyclohexyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
CID 104693380
(2R)-2-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]butanedioic acid
CID 103009311
4-methyl-5-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]pentanoic acid
CID 103009666
1-[2-(3,5-dichlorophenyl)ethyl]-3-(2-methoxyethyl)urea
CID 47442422

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dichlorophenyl)ethyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]urea?
The IUPAC name of 1-[2-(3,5-dichlorophenyl)ethyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]urea (CID 75522807) is 1-[2-(3,5-dichlorophenyl)ethyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]urea.
What is the SMILES notation for 1-[2-(3,5-dichlorophenyl)ethyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]urea?
The canonical SMILES for 1-[2-(3,5-dichlorophenyl)ethyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]urea is Cn1nccc1CCNC(=O)NCCc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-[2-(3,5-dichlorophenyl)ethyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]urea?
The InChIKey is ZPMITNYJNMDWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N4O/c1-21-14(4-7-20-21)3-6-19-15(22)18-5-2-11-8-12(16)10-13(17)9-11/h4,7-10H,2-3,5-6H2,1H3,(H2,18,19,22).
What are the key properties of 1-[2-(3,5-dichlorophenyl)ethyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]urea?
1-[2-(3,5-dichlorophenyl)ethyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]urea has a molecular weight of 341.24 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dichlorophenyl)ethyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]urea is sourced from PubChem (CID 75522807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).