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

C17H24N4O2 — CID 56824173

IUPAC1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxy-3-methylphenyl)urea
SMILESCCn1nc(C)c(CNC(=O)Nc2ccc(OC)c(C)c2)c1C
InChIInChI=1S/C17H24N4O2/c1-6-21-13(4)15(12(3)20-21)10-18-17(22)19-14-7-8-16(23-5)11(2)9-14/h7-9H,6,10H2,1-5H3,(H2,18,19,22)
InChIKeyLUNIMFXMWYASDL-UHFFFAOYSA-N
MW316.41 g/mol
LogP3.16
Rot. Bonds5

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

1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxy-3-methylphenyl)urea (PubChem CID 56824173) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxy-3-methylphenyl)urea.

Molecular Properties

Compound Name1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxy-3-methylphenyl)urea
PubChem CID56824173
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxy-3-methylphenyl)urea
SMILESCCn1nc(C)c(CNC(=O)Nc2ccc(OC)c(C)c2)c1C
InChIInChI=1S/C17H24N4O2/c1-6-21-13(4)15(12(3)20-21)10-18-17(22)19-14-7-8-16(23-5)11(2)9-14/h7-9H,6,10H2,1-5H3,(H2,18,19,22)
InChIKeyLUNIMFXMWYASDL-UHFFFAOYSA-N
XLogP3.16
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 20964133
1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(4-ethylphenyl)urea
CID 20964106
5-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-2-fluoro-N-methylbenzamide
CID 56824177
4-amino-1-ethyl-N-(4-methoxy-3-methylphenyl)-3-methylpyrazole-5-carboxamide
CID 66123117
1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]urea
CID 95187109
1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(2-methylphenyl)urea
CID 20964116
1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]urea
CID 72907928
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N'-(4-hydroxyphenyl)oxamide
CID 45493739
1-(2,2-dimethylpropyl)-3-(4-methoxy-3-methylphenyl)urea
CID 110774460
1-(4-methoxy-3-methylphenyl)-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 87035704
3-(3,4-dimethylphenyl)-1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-methylurea
CID 53086282
1-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)urea
CID 72902943

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxy-3-methylphenyl)urea?
The IUPAC name of 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxy-3-methylphenyl)urea (CID 56824173) is 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxy-3-methylphenyl)urea.
What is the SMILES notation for 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxy-3-methylphenyl)urea?
The canonical SMILES for 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxy-3-methylphenyl)urea is CCn1nc(C)c(CNC(=O)Nc2ccc(OC)c(C)c2)c1C.
What is the InChIKey of 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxy-3-methylphenyl)urea?
The InChIKey is LUNIMFXMWYASDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-6-21-13(4)15(12(3)20-21)10-18-17(22)19-14-7-8-16(23-5)11(2)9-14/h7-9H,6,10H2,1-5H3,(H2,18,19,22).
What are the key properties of 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxy-3-methylphenyl)urea?
1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxy-3-methylphenyl)urea has a molecular weight of 316.41 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxy-3-methylphenyl)urea is sourced from PubChem (CID 56824173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).