1-(2-pyrazol-1-ylphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]urea

C20H22N4O4 — CID 47040832

IUPAC1-(2-pyrazol-1-ylphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]urea
SMILESCOc1cc(CNC(=O)Nc2ccccc2-n2cccn2)cc(OC)c1OC
InChIInChI=1S/C20H22N4O4/c1-26-17-11-14(12-18(27-2)19(17)28-3)13-21-20(25)23-15-7-4-5-8-16(15)24-10-6-9-22-24/h4-12H,13H2,1-3H3,(H2,21,23,25)
InChIKeyRPWZPDLIXTZXEC-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.22
Rot. Bonds7

About 1-(2-pyrazol-1-ylphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]urea

1-(2-pyrazol-1-ylphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]urea (PubChem CID 47040832) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is 1-(2-pyrazol-1-ylphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-(2-pyrazol-1-ylphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]urea
PubChem CID47040832
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Name1-(2-pyrazol-1-ylphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]urea
SMILESCOc1cc(CNC(=O)Nc2ccccc2-n2cccn2)cc(OC)c1OC
InChIInChI=1S/C20H22N4O4/c1-26-17-11-14(12-18(27-2)19(17)28-3)13-21-20(25)23-15-7-4-5-8-16(15)24-10-6-9-22-24/h4-12H,13H2,1-3H3,(H2,21,23,25)
InChIKeyRPWZPDLIXTZXEC-UHFFFAOYSA-N
XLogP3.22
TPSA86.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-pyrazol-1-ylphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]urea?
The IUPAC name of 1-(2-pyrazol-1-ylphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]urea (CID 47040832) is 1-(2-pyrazol-1-ylphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]urea.
What is the SMILES notation for 1-(2-pyrazol-1-ylphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]urea?
The canonical SMILES for 1-(2-pyrazol-1-ylphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]urea is COc1cc(CNC(=O)Nc2ccccc2-n2cccn2)cc(OC)c1OC.
What is the InChIKey of 1-(2-pyrazol-1-ylphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]urea?
The InChIKey is RPWZPDLIXTZXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-26-17-11-14(12-18(27-2)19(17)28-3)13-21-20(25)23-15-7-4-5-8-16(15)24-10-6-9-22-24/h4-12H,13H2,1-3H3,(H2,21,23,25).
What are the key properties of 1-(2-pyrazol-1-ylphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]urea?
1-(2-pyrazol-1-ylphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]urea has a molecular weight of 382.42 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyrazol-1-ylphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]urea is sourced from PubChem (CID 47040832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).