1-[1-(2,6-dichlorophenyl)-5-methylpyrazol-3-yl]-3-morpholin-4-ylurea

C15H17Cl2N5O2 — CID 2743111

IUPAC1-[1-(2,6-dichlorophenyl)-5-methylpyrazol-3-yl]-3-morpholin-4-ylurea
SMILESCc1cc(NC(=O)NN2CCOCC2)nn1-c1c(Cl)cccc1Cl
InChIInChI=1S/C15H17Cl2N5O2/c1-10-9-13(18-15(23)20-21-5-7-24-8-6-21)19-22(10)14-11(16)3-2-4-12(14)17/h2-4,9H,5-8H2,1H3,(H2,18,19,20,23)
InChIKeyWRBVEMXDNBGNME-UHFFFAOYSA-N
MW370.24 g/mol
LogP2.86
Rot. Bonds3

About 1-[1-(2,6-dichlorophenyl)-5-methylpyrazol-3-yl]-3-morpholin-4-ylurea

1-[1-(2,6-dichlorophenyl)-5-methylpyrazol-3-yl]-3-morpholin-4-ylurea (PubChem CID 2743111) has the molecular formula C15H17Cl2N5O2 and a molecular weight of 370.24 g/mol. Its IUPAC name is 1-[1-(2,6-dichlorophenyl)-5-methylpyrazol-3-yl]-3-morpholin-4-ylurea.

Molecular Properties

Compound Name1-[1-(2,6-dichlorophenyl)-5-methylpyrazol-3-yl]-3-morpholin-4-ylurea
PubChem CID2743111
Molecular FormulaC15H17Cl2N5O2
Molecular Weight370.24 g/mol
Exact Mass369.08
IUPAC Name1-[1-(2,6-dichlorophenyl)-5-methylpyrazol-3-yl]-3-morpholin-4-ylurea
SMILESCc1cc(NC(=O)NN2CCOCC2)nn1-c1c(Cl)cccc1Cl
InChIInChI=1S/C15H17Cl2N5O2/c1-10-9-13(18-15(23)20-21-5-7-24-8-6-21)19-22(10)14-11(16)3-2-4-12(14)17/h2-4,9H,5-8H2,1H3,(H2,18,19,20,23)
InChIKeyWRBVEMXDNBGNME-UHFFFAOYSA-N
XLogP2.86
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.24
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(tert-butyl)-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]-N'-morpholinourea
CID 2743140
N-[5-methyl-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]-N'-morpholinourea
CID 2743113
1-[1-(2,4-Dichlorophenyl)-5-methylpyrazol-3-yl]-3-(2-hydroxyethyl)urea
CID 75447230
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
1-[5-Tert-butyl-1-(2,4,6-trichlorophenyl)pyrazol-3-yl]-3-(dimethylamino)urea
CID 2743139
1-[1-(3-Chlorophenyl)-5-methylpyrazol-3-yl]-3-(2-hydroxyethyl)urea
CID 75483645
2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide
CID 17515101
N-(2-chlorophenyl)-N'-{1-[1-(2-methoxy-1-methylethyl)-4-piperidinyl]-1H-pyrazol-5-yl}urea
CID 56720779
N-[1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]-2-piperidin-1-ylacetamide
CID 57705424
1-[4-[2-[[1-(2,4-Dichlorophenyl)-5-methylpyrazol-3-yl]amino]ethyl]piperazin-1-yl]ethanone
CID 57705434

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,6-dichlorophenyl)-5-methylpyrazol-3-yl]-3-morpholin-4-ylurea?
The IUPAC name of 1-[1-(2,6-dichlorophenyl)-5-methylpyrazol-3-yl]-3-morpholin-4-ylurea (CID 2743111) is 1-[1-(2,6-dichlorophenyl)-5-methylpyrazol-3-yl]-3-morpholin-4-ylurea.
What is the SMILES notation for 1-[1-(2,6-dichlorophenyl)-5-methylpyrazol-3-yl]-3-morpholin-4-ylurea?
The canonical SMILES for 1-[1-(2,6-dichlorophenyl)-5-methylpyrazol-3-yl]-3-morpholin-4-ylurea is Cc1cc(NC(=O)NN2CCOCC2)nn1-c1c(Cl)cccc1Cl.
What is the InChIKey of 1-[1-(2,6-dichlorophenyl)-5-methylpyrazol-3-yl]-3-morpholin-4-ylurea?
The InChIKey is WRBVEMXDNBGNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N5O2/c1-10-9-13(18-15(23)20-21-5-7-24-8-6-21)19-22(10)14-11(16)3-2-4-12(14)17/h2-4,9H,5-8H2,1H3,(H2,18,19,20,23).
What are the key properties of 1-[1-(2,6-dichlorophenyl)-5-methylpyrazol-3-yl]-3-morpholin-4-ylurea?
1-[1-(2,6-dichlorophenyl)-5-methylpyrazol-3-yl]-3-morpholin-4-ylurea has a molecular weight of 370.24 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,6-dichlorophenyl)-5-methylpyrazol-3-yl]-3-morpholin-4-ylurea is sourced from PubChem (CID 2743111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).