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

C16H22N4O — CID 20964116

IUPAC1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(2-methylphenyl)urea
SMILESCCn1nc(C)c(CNC(=O)Nc2ccccc2C)c1C
InChIInChI=1S/C16H22N4O/c1-5-20-13(4)14(12(3)19-20)10-17-16(21)18-15-9-7-6-8-11(15)2/h6-9H,5,10H2,1-4H3,(H2,17,18,21)
InChIKeyBGEGLSCINNQJMX-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.15
Rot. Bonds4

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

1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(2-methylphenyl)urea (PubChem CID 20964116) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(2-methylphenyl)urea.

Molecular Properties

Compound Name1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(2-methylphenyl)urea
PubChem CID20964116
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(2-methylphenyl)urea
SMILESCCn1nc(C)c(CNC(=O)Nc2ccccc2C)c1C
InChIInChI=1S/C16H22N4O/c1-5-20-13(4)14(12(3)19-20)10-17-16(21)18-15-9-7-6-8-11(15)2/h6-9H,5,10H2,1-4H3,(H2,17,18,21)
InChIKeyBGEGLSCINNQJMX-UHFFFAOYSA-N
XLogP3.15
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-(2-methylphenyl)urea
CID 20963995
1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(4-ethylphenyl)urea
CID 20964106
1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 97278335
1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxy-3-methylphenyl)urea
CID 56824173
1-(2-bromophenyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea
CID 20964064
2-[4-(hydroxymethyl)-3,5-dimethylpyrazol-1-yl]-N-(2-methylphenyl)acetamide
CID 43647377
1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 20964133
1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]urea
CID 72907928
2-bromo-N-[N'-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methylphenyl)carbamimidoyl]benzamide
CID 46293163
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N'-(4-hydroxyphenyl)oxamide
CID 45493739
5-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-2-fluoro-N-methylbenzamide
CID 56824177
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N'-(1H-indol-4-yl)oxamide
CID 39351756

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(2-methylphenyl)urea?
The IUPAC name of 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(2-methylphenyl)urea (CID 20964116) is 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(2-methylphenyl)urea.
What is the SMILES notation for 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(2-methylphenyl)urea?
The canonical SMILES for 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(2-methylphenyl)urea is CCn1nc(C)c(CNC(=O)Nc2ccccc2C)c1C.
What is the InChIKey of 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(2-methylphenyl)urea?
The InChIKey is BGEGLSCINNQJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-5-20-13(4)14(12(3)19-20)10-17-16(21)18-15-9-7-6-8-11(15)2/h6-9H,5,10H2,1-4H3,(H2,17,18,21).
What are the key properties of 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(2-methylphenyl)urea?
1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(2-methylphenyl)urea has a molecular weight of 286.38 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(2-methylphenyl)urea is sourced from PubChem (CID 20964116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).