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

C17H24N4O2 — CID 38234356

IUPAC1-[(3-methoxyphenyl)methyl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
SMILESCOc1cccc(CNC(=O)NCCc2c(C)nn(C)c2C)c1
InChIInChI=1S/C17H24N4O2/c1-12-16(13(2)21(3)20-12)8-9-18-17(22)19-11-14-6-5-7-15(10-14)23-4/h5-7,10H,8-9,11H2,1-4H3,(H2,18,19,22)
InChIKeyYKEZLEBRKCXEQM-UHFFFAOYSA-N
MW316.41 g/mol
LogP2.09
Rot. Bonds6

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

1-[(3-methoxyphenyl)methyl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea (PubChem CID 38234356) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methyl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
PubChem CID38234356
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name1-[(3-methoxyphenyl)methyl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
SMILESCOc1cccc(CNC(=O)NCCc2c(C)nn(C)c2C)c1
InChIInChI=1S/C17H24N4O2/c1-12-16(13(2)21(3)20-12)8-9-18-17(22)19-11-14-6-5-7-15(10-14)23-4/h5-7,10H,8-9,11H2,1-4H3,(H2,18,19,22)
InChIKeyYKEZLEBRKCXEQM-UHFFFAOYSA-N
XLogP2.09
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide
CID 110731154
1-[2-(4-methoxyphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 51290894
1-(4-methoxyphenyl)-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 53029159
1-[2-(3-hydroxyphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 60602886
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[(3-methoxyphenyl)methyl]urea
CID 38159279
1-(2-fluoroethyl)-3-[(3-methoxyphenyl)methyl]urea
CID 59778690
1-(2-aminoethyl)-3-[(3-methoxyphenyl)methyl]urea
CID 117235446
1-[2-(3,5-dichlorophenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 60591409
3,5-dimethoxy-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
CID 86768030
1-[2-(2,4-dimethylphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 48630580
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 108891449
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 9377721

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methyl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea?
The IUPAC name of 1-[(3-methoxyphenyl)methyl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea (CID 38234356) is 1-[(3-methoxyphenyl)methyl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-[(3-methoxyphenyl)methyl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea?
The canonical SMILES for 1-[(3-methoxyphenyl)methyl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea is COc1cccc(CNC(=O)NCCc2c(C)nn(C)c2C)c1.
What is the InChIKey of 1-[(3-methoxyphenyl)methyl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea?
The InChIKey is YKEZLEBRKCXEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-12-16(13(2)21(3)20-12)8-9-18-17(22)19-11-14-6-5-7-15(10-14)23-4/h5-7,10H,8-9,11H2,1-4H3,(H2,18,19,22).
What are the key properties of 1-[(3-methoxyphenyl)methyl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea?
1-[(3-methoxyphenyl)methyl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea has a molecular weight of 316.41 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)methyl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea is sourced from PubChem (CID 38234356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).