1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(3-ethyl-1-methylpyrazol-5-yl)urea

C15H19ClN4O2 — CID 111453634

IUPAC1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(3-ethyl-1-methylpyrazol-5-yl)urea
SMILESCCc1cc(NC(=O)NCC(O)c2ccccc2Cl)n(C)n1
InChIInChI=1S/C15H19ClN4O2/c1-3-10-8-14(20(2)19-10)18-15(22)17-9-13(21)11-6-4-5-7-12(11)16/h4-8,13,21H,3,9H2,1-2H3,(H2,17,18,22)
InChIKeyQNJXNVWAGLEVDR-UHFFFAOYSA-N
MW322.80 g/mol
LogP2.49
Rot. Bonds5

About 1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(3-ethyl-1-methylpyrazol-5-yl)urea

1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(3-ethyl-1-methylpyrazol-5-yl)urea (PubChem CID 111453634) has the molecular formula C15H19ClN4O2 and a molecular weight of 322.80 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(3-ethyl-1-methylpyrazol-5-yl)urea.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(3-ethyl-1-methylpyrazol-5-yl)urea
PubChem CID111453634
Molecular FormulaC15H19ClN4O2
Molecular Weight322.80 g/mol
Exact Mass322.12
IUPAC Name1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(3-ethyl-1-methylpyrazol-5-yl)urea
SMILESCCc1cc(NC(=O)NCC(O)c2ccccc2Cl)n(C)n1
InChIInChI=1S/C15H19ClN4O2/c1-3-10-8-14(20(2)19-10)18-15(22)17-9-13(21)11-6-4-5-7-12(11)16/h4-8,13,21H,3,9H2,1-2H3,(H2,17,18,22)
InChIKeyQNJXNVWAGLEVDR-UHFFFAOYSA-N
XLogP2.49
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-Hydroxy-2-phenylethyl)pyrazol-3-yl]-3-propan-2-ylurea
CID 16747859
1-[3-Tert-butyl-1-(2-hydroxy-2-phenylethyl)pyrazol-5-yl]-3-(2-fluorophenyl)urea
CID 137637081
1-[3-Tert-butyl-1-(2-hydroxy-2-phenylethyl)pyrazol-5-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 137641438
1-[3-Tert-butyl-1-(2-hydroxy-2-phenylethyl)pyrazol-5-yl]-3-(3-fluorophenyl)urea
CID 137645323
1-[2-(3,4-Difluorophenyl)-2-hydroxyethyl]-3-(2,5-dimethylpyrazol-3-yl)urea
CID 45821208
1-(2,5-Dimethylpyrazol-3-yl)-3-[2-hydroxy-2-(4-methylphenyl)ethyl]urea
CID 51080201
1-(2,5-Dimethylpyrazol-3-yl)-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 51080208
2-[[5-(Dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]-1-phenylethanol
CID 51104710
2-[[5-(Dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-1-phenylethanol
CID 53601448
1-[2-(2,4-Dichlorophenyl)-2-hydroxyethyl]-3-(2,5-dimethylpyrazol-3-yl)urea
CID 53602817
1-[3-Tert-butyl-1-(2-hydroxy-2-phenylethyl)pyrazol-5-yl]-3-(4-fluorophenyl)urea
CID 137640030
N-(3-ethyl-1,4-dimethyl-1H-pyrazol-5-yl)-N'-[(1R)-2-hydroxy-1-(4-hydroxybenzyl)ethyl]urea
CID 72839884

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(3-ethyl-1-methylpyrazol-5-yl)urea?
The IUPAC name of 1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(3-ethyl-1-methylpyrazol-5-yl)urea (CID 111453634) is 1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(3-ethyl-1-methylpyrazol-5-yl)urea.
What is the SMILES notation for 1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(3-ethyl-1-methylpyrazol-5-yl)urea?
The canonical SMILES for 1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(3-ethyl-1-methylpyrazol-5-yl)urea is CCc1cc(NC(=O)NCC(O)c2ccccc2Cl)n(C)n1.
What is the InChIKey of 1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(3-ethyl-1-methylpyrazol-5-yl)urea?
The InChIKey is QNJXNVWAGLEVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O2/c1-3-10-8-14(20(2)19-10)18-15(22)17-9-13(21)11-6-4-5-7-12(11)16/h4-8,13,21H,3,9H2,1-2H3,(H2,17,18,22).
What are the key properties of 1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(3-ethyl-1-methylpyrazol-5-yl)urea?
1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(3-ethyl-1-methylpyrazol-5-yl)urea has a molecular weight of 322.80 g/mol, XLogP of 2.49, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(3-ethyl-1-methylpyrazol-5-yl)urea is sourced from PubChem (CID 111453634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).