1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-(2-methylphenyl)urea

C17H24N4O — CID 20963995

IUPAC1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-(2-methylphenyl)urea
SMILESCCn1nc(C)c(CCNC(=O)Nc2ccccc2C)c1C
InChIInChI=1S/C17H24N4O/c1-5-21-14(4)15(13(3)20-21)10-11-18-17(22)19-16-9-7-6-8-12(16)2/h6-9H,5,10-11H2,1-4H3,(H2,18,19,22)
InChIKeyBDLJVWUKSLYHAI-UHFFFAOYSA-N
MW300.41 g/mol
LogP3.19
Rot. Bonds5

About 1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-(2-methylphenyl)urea

1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-(2-methylphenyl)urea (PubChem CID 20963995) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-(2-methylphenyl)urea.

Molecular Properties

Compound Name1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-(2-methylphenyl)urea
PubChem CID20963995
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-(2-methylphenyl)urea
SMILESCCn1nc(C)c(CCNC(=O)Nc2ccccc2C)c1C
InChIInChI=1S/C17H24N4O/c1-5-21-14(4)15(13(3)20-21)10-11-18-17(22)19-16-9-7-6-8-12(16)2/h6-9H,5,10-11H2,1-4H3,(H2,18,19,22)
InChIKeyBDLJVWUKSLYHAI-UHFFFAOYSA-N
XLogP3.19
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(2-methylphenyl)urea
CID 20964116
1-(2,5-difluorophenyl)-3-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]urea
CID 20964016
2-[4-(hydroxymethyl)-3,5-dimethylpyrazol-1-yl]-N-(2-methylphenyl)acetamide
CID 43647377
(2R)-2-(dimethylamino)-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-(3-methylphenyl)acetamide
CID 95130797
2-bromo-N-[N'-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methylphenyl)carbamimidoyl]benzamide
CID 46293163
[1-(2-methylanilino)-1-oxopropan-2-yl] 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoate
CID 46648406
N-[N-(2,5-dimethylphenyl)-N'-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]carbamimidoyl]benzamide
CID 46294258
3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 91947447
1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(4-ethylphenyl)urea
CID 20964106
(2R)-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)propanamide
CID 95064603
2-N-(3-chlorophenyl)-5-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1,3,4-thiadiazole-2,5-dicarboxamide
CID 46353817
1-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-(2-methylphenyl)urea
CID 121119862

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-(2-methylphenyl)urea?
The IUPAC name of 1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-(2-methylphenyl)urea (CID 20963995) is 1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-(2-methylphenyl)urea.
What is the SMILES notation for 1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-(2-methylphenyl)urea?
The canonical SMILES for 1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-(2-methylphenyl)urea is CCn1nc(C)c(CCNC(=O)Nc2ccccc2C)c1C.
What is the InChIKey of 1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-(2-methylphenyl)urea?
The InChIKey is BDLJVWUKSLYHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-5-21-14(4)15(13(3)20-21)10-11-18-17(22)19-16-9-7-6-8-12(16)2/h6-9H,5,10-11H2,1-4H3,(H2,18,19,22).
What are the key properties of 1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-(2-methylphenyl)urea?
1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-(2-methylphenyl)urea has a molecular weight of 300.41 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-(2-methylphenyl)urea is sourced from PubChem (CID 20963995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).