1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(3-ethylphenyl)urea

C16H23N5O — CID 75494374

IUPAC1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(3-ethylphenyl)urea
SMILESCCc1cccc(NC(=O)Nc2ccn(CCN(C)C)n2)c1
InChIInChI=1S/C16H23N5O/c1-4-13-6-5-7-14(12-13)17-16(22)18-15-8-9-21(19-15)11-10-20(2)3/h5-9,12H,4,10-11H2,1-3H3,(H2,17,18,19,22)
InChIKeyCLWIXKVGAIQWMD-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.65
Rot. Bonds6

About 1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(3-ethylphenyl)urea

1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(3-ethylphenyl)urea (PubChem CID 75494374) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(3-ethylphenyl)urea.

Molecular Properties

Compound Name1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(3-ethylphenyl)urea
PubChem CID75494374
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(3-ethylphenyl)urea
SMILESCCc1cccc(NC(=O)Nc2ccn(CCN(C)C)n2)c1
InChIInChI=1S/C16H23N5O/c1-4-13-6-5-7-14(12-13)17-16(22)18-15-8-9-21(19-15)11-10-20(2)3/h5-9,12H,4,10-11H2,1-3H3,(H2,17,18,19,22)
InChIKeyCLWIXKVGAIQWMD-UHFFFAOYSA-N
XLogP2.65
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[2-(dimethylamino)ethoxy]-4-iodophenyl]-3-(3-ethylphenyl)urea
CID 54111043
2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]benzamide
CID 119946927
1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-[5-[(1S,2R)-2-methylcyclopropyl]-1H-pyrazol-3-yl]urea
CID 99835836
N-(3-ethylphenyl)-3-pyrazol-1-ylpropanamide
CID 46339322
2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]benzamide;dihydrochloride
CID 119946926
1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(2-hydroxy-4-methylpentyl)urea
CID 111475349
1-(3-chlorophenyl)-3-(3-ethylphenyl)urea
CID 3247942
8-bromo-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]naphthalene-1-carboxamide
CID 167841166
4-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]pentanamide;dihydrochloride
CID 120565170
1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(4-hydroxy-1-phenylbutyl)urea
CID 111475375
1-[2-(dimethylamino)ethyl]-N-(3-ethyl-4-methylphenyl)pyrazole-3-carboxamide
CID 136551225
2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-phenylpropanamide
CID 120596230

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(3-ethylphenyl)urea?
The IUPAC name of 1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(3-ethylphenyl)urea (CID 75494374) is 1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(3-ethylphenyl)urea.
What is the SMILES notation for 1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(3-ethylphenyl)urea?
The canonical SMILES for 1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(3-ethylphenyl)urea is CCc1cccc(NC(=O)Nc2ccn(CCN(C)C)n2)c1.
What is the InChIKey of 1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(3-ethylphenyl)urea?
The InChIKey is CLWIXKVGAIQWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-4-13-6-5-7-14(12-13)17-16(22)18-15-8-9-21(19-15)11-10-20(2)3/h5-9,12H,4,10-11H2,1-3H3,(H2,17,18,19,22).
What are the key properties of 1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(3-ethylphenyl)urea?
1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(3-ethylphenyl)urea has a molecular weight of 301.39 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(3-ethylphenyl)urea is sourced from PubChem (CID 75494374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).