3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-ethyl-1-(2-hydroxyethyl)urea

C16H22N4O2 — CID 110890949

IUPAC3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-ethyl-1-(2-hydroxyethyl)urea
SMILESCCN(CCO)C(=O)Nc1c(C)nn(-c2ccccc2)c1C
InChIInChI=1S/C16H22N4O2/c1-4-19(10-11-21)16(22)17-15-12(2)18-20(13(15)3)14-8-6-5-7-9-14/h5-9,21H,4,10-11H2,1-3H3,(H,17,22)
InChIKeyQYXSPXQSEGPWSE-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.34
Rot. Bonds5

About 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-ethyl-1-(2-hydroxyethyl)urea

3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-ethyl-1-(2-hydroxyethyl)urea (PubChem CID 110890949) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-ethyl-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-ethyl-1-(2-hydroxyethyl)urea
PubChem CID110890949
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-ethyl-1-(2-hydroxyethyl)urea
SMILESCCN(CCO)C(=O)Nc1c(C)nn(-c2ccccc2)c1C
InChIInChI=1S/C16H22N4O2/c1-4-19(10-11-21)16(22)17-15-12(2)18-20(13(15)3)14-8-6-5-7-9-14/h5-9,21H,4,10-11H2,1-3H3,(H,17,22)
InChIKeyQYXSPXQSEGPWSE-UHFFFAOYSA-N
XLogP2.34
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[2-hydroxyethyl(methyl)amino]propanamide
CID 110935836
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(4-ethylphenyl)acetamide
CID 99632483
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(N-methylanilino)acetamide
CID 8002339
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-phenylsulfanylacetamide
CID 78762299
2-[[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]-methylamino]-N-methylacetamide
CID 78826187
2-chloro-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
CID 47002122
1-tert-butyl-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)urea
CID 78834613
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 8712451
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
CID 111332644
2-[[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]-methylamino]-N-propylacetamide
CID 9302735
N-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]-2-methylbenzamide
CID 51275540
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(4-phenylanilino)acetamide
CID 39912340

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-ethyl-1-(2-hydroxyethyl)urea?
The IUPAC name of 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-ethyl-1-(2-hydroxyethyl)urea (CID 110890949) is 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-ethyl-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-ethyl-1-(2-hydroxyethyl)urea?
The canonical SMILES for 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-ethyl-1-(2-hydroxyethyl)urea is CCN(CCO)C(=O)Nc1c(C)nn(-c2ccccc2)c1C.
What is the InChIKey of 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-ethyl-1-(2-hydroxyethyl)urea?
The InChIKey is QYXSPXQSEGPWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-4-19(10-11-21)16(22)17-15-12(2)18-20(13(15)3)14-8-6-5-7-9-14/h5-9,21H,4,10-11H2,1-3H3,(H,17,22).
What are the key properties of 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-ethyl-1-(2-hydroxyethyl)urea?
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-ethyl-1-(2-hydroxyethyl)urea has a molecular weight of 302.38 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-ethyl-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 110890949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).