1-(4-methoxyphenyl)-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea

C16H22N4O2 — CID 53029159

IUPAC1-(4-methoxyphenyl)-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
SMILESCOc1ccc(NC(=O)NCCc2c(C)nn(C)c2C)cc1
InChIInChI=1S/C16H22N4O2/c1-11-15(12(2)20(3)19-11)9-10-17-16(21)18-13-5-7-14(22-4)8-6-13/h5-8H,9-10H2,1-4H3,(H2,17,18,21)
InChIKeyVQNTVWBARMZFJM-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.41
Rot. Bonds5

About 1-(4-methoxyphenyl)-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea

1-(4-methoxyphenyl)-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea (PubChem CID 53029159) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
PubChem CID53029159
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name1-(4-methoxyphenyl)-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
SMILESCOc1ccc(NC(=O)NCCc2c(C)nn(C)c2C)cc1
InChIInChI=1S/C16H22N4O2/c1-11-15(12(2)20(3)19-11)9-10-17-16(21)18-13-5-7-14(22-4)8-6-13/h5-8H,9-10H2,1-4H3,(H2,17,18,21)
InChIKeyVQNTVWBARMZFJM-UHFFFAOYSA-N
XLogP2.41
TPSA68.18 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 ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-2-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide
CID 110446439
1-[(3-methoxyphenyl)methyl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 38234356
5-(4-methoxyphenyl)-1-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide
CID 46977397
3,5-dimethoxy-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
CID 86768030
1-[2-(4-methoxyphenyl)ethyl]-2-methyl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 111169565
1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 75405494
1-[2-(4-methoxyphenyl)ethyl]-3-(4-methylphenyl)urea
CID 727799
1-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 71895932
1-naphthalen-2-yl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiourea
CID 71940899
N-[N-(4-methoxyphenyl)-N'-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]carbamimidoyl]benzamide
CID 46294654
1-propan-2-yl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 110747749
N-[bis(4-methoxyphenyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 35091912

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea?
The IUPAC name of 1-(4-methoxyphenyl)-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea (CID 53029159) is 1-(4-methoxyphenyl)-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea?
The canonical SMILES for 1-(4-methoxyphenyl)-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea is COc1ccc(NC(=O)NCCc2c(C)nn(C)c2C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea?
The InChIKey is VQNTVWBARMZFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-11-15(12(2)20(3)19-11)9-10-17-16(21)18-13-5-7-14(22-4)8-6-13/h5-8H,9-10H2,1-4H3,(H2,17,18,21).
What are the key properties of 1-(4-methoxyphenyl)-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea?
1-(4-methoxyphenyl)-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea has a molecular weight of 302.38 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea is sourced from PubChem (CID 53029159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).