1-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-(2,5-dimethylpyrazol-3-yl)urea

C16H22ClN5O — CID 51080234

IUPAC1-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-(2,5-dimethylpyrazol-3-yl)urea
SMILESCc1cc(NC(=O)NCC(c2ccccc2Cl)N(C)C)n(C)n1
InChIInChI=1S/C16H22ClN5O/c1-11-9-15(22(4)20-11)19-16(23)18-10-14(21(2)3)12-7-5-6-8-13(12)17/h5-9,14H,10H2,1-4H3,(H2,18,19,23)
InChIKeyZOFXOJXDVOFFDM-UHFFFAOYSA-N
MW335.84 g/mol
LogP2.81
Rot. Bonds5

About 1-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-(2,5-dimethylpyrazol-3-yl)urea

1-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-(2,5-dimethylpyrazol-3-yl)urea (PubChem CID 51080234) has the molecular formula C16H22ClN5O and a molecular weight of 335.84 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-(2,5-dimethylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-(2,5-dimethylpyrazol-3-yl)urea
PubChem CID51080234
Molecular FormulaC16H22ClN5O
Molecular Weight335.84 g/mol
Exact Mass335.15
IUPAC Name1-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-(2,5-dimethylpyrazol-3-yl)urea
SMILESCc1cc(NC(=O)NCC(c2ccccc2Cl)N(C)C)n(C)n1
InChIInChI=1S/C16H22ClN5O/c1-11-9-15(22(4)20-11)19-16(23)18-10-14(21(2)3)12-7-5-6-8-13(12)17/h5-9,14H,10H2,1-4H3,(H2,18,19,23)
InChIKeyZOFXOJXDVOFFDM-UHFFFAOYSA-N
XLogP2.81
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.84
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethylpyrazol-3-yl)-3-[(2R)-2-(N-methylanilino)propyl]urea
CID 94078524
1-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2,5-dimethylpyrazol-3-yl)urea
CID 94174620
1-(2,5-dimethylpyrazol-3-yl)-3-(2-phenylbutyl)urea
CID 51080232
1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(3-ethyl-1-methylpyrazol-5-yl)urea
CID 111453634
N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 30686848
2-chloro-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 3741602
N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-methylpyrazine-2-carboxamide
CID 30478238
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-6-methylpyridine-3-carboxamide
CID 43044703
N-[(2-chlorophenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine
CID 105099548
2-(2-chlorophenyl)-3-(2,5-dimethylpyrazol-3-yl)propanoic acid
CID 79439265
N-(2,5-dimethylpyrazol-3-yl)-2,2-diphenylacetamide
CID 42109659
1-[(2S)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-(2,5-dimethylpyrazol-3-yl)urea
CID 95129214

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-(2,5-dimethylpyrazol-3-yl)urea?
The IUPAC name of 1-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-(2,5-dimethylpyrazol-3-yl)urea (CID 51080234) is 1-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-(2,5-dimethylpyrazol-3-yl)urea.
What is the SMILES notation for 1-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-(2,5-dimethylpyrazol-3-yl)urea?
The canonical SMILES for 1-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-(2,5-dimethylpyrazol-3-yl)urea is Cc1cc(NC(=O)NCC(c2ccccc2Cl)N(C)C)n(C)n1.
What is the InChIKey of 1-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-(2,5-dimethylpyrazol-3-yl)urea?
The InChIKey is ZOFXOJXDVOFFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN5O/c1-11-9-15(22(4)20-11)19-16(23)18-10-14(21(2)3)12-7-5-6-8-13(12)17/h5-9,14H,10H2,1-4H3,(H2,18,19,23).
What are the key properties of 1-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-(2,5-dimethylpyrazol-3-yl)urea?
1-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-(2,5-dimethylpyrazol-3-yl)urea has a molecular weight of 335.84 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-(2,5-dimethylpyrazol-3-yl)urea is sourced from PubChem (CID 51080234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).