1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(2-pyrazol-1-ylphenyl)urea

C19H20N4O3 — CID 55740997

IUPAC1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(2-pyrazol-1-ylphenyl)urea
SMILESCOc1ccc(C(O)CNC(=O)Nc2ccccc2-n2cccn2)cc1
InChIInChI=1S/C19H20N4O3/c1-26-15-9-7-14(8-10-15)18(24)13-20-19(25)22-16-5-2-3-6-17(16)23-12-4-11-21-23/h2-12,18,24H,13H2,1H3,(H2,20,22,25)
InChIKeyFPVOWAIGSCMRJZ-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.74
Rot. Bonds6

About 1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(2-pyrazol-1-ylphenyl)urea

1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(2-pyrazol-1-ylphenyl)urea (PubChem CID 55740997) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(2-pyrazol-1-ylphenyl)urea.

Molecular Properties

Compound Name1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(2-pyrazol-1-ylphenyl)urea
PubChem CID55740997
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(2-pyrazol-1-ylphenyl)urea
SMILESCOc1ccc(C(O)CNC(=O)Nc2ccccc2-n2cccn2)cc1
InChIInChI=1S/C19H20N4O3/c1-26-15-9-7-14(8-10-15)18(24)13-20-19(25)22-16-5-2-3-6-17(16)23-12-4-11-21-23/h2-12,18,24H,13H2,1H3,(H2,20,22,25)
InChIKeyFPVOWAIGSCMRJZ-UHFFFAOYSA-N
XLogP2.74
TPSA88.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(2-pyrazol-1-ylphenyl)urea?
The IUPAC name of 1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(2-pyrazol-1-ylphenyl)urea (CID 55740997) is 1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(2-pyrazol-1-ylphenyl)urea.
What is the SMILES notation for 1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(2-pyrazol-1-ylphenyl)urea?
The canonical SMILES for 1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(2-pyrazol-1-ylphenyl)urea is COc1ccc(C(O)CNC(=O)Nc2ccccc2-n2cccn2)cc1.
What is the InChIKey of 1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(2-pyrazol-1-ylphenyl)urea?
The InChIKey is FPVOWAIGSCMRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-26-15-9-7-14(8-10-15)18(24)13-20-19(25)22-16-5-2-3-6-17(16)23-12-4-11-21-23/h2-12,18,24H,13H2,1H3,(H2,20,22,25).
What are the key properties of 1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(2-pyrazol-1-ylphenyl)urea?
1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(2-pyrazol-1-ylphenyl)urea has a molecular weight of 352.39 g/mol, XLogP of 2.74, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(2-pyrazol-1-ylphenyl)urea is sourced from PubChem (CID 55740997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).