1-[(2R)-2-ethoxy-2-phenylethyl]-3-(2-methylpyrazol-3-yl)urea

C15H20N4O2 — CID 99840154

IUPAC1-[(2R)-2-ethoxy-2-phenylethyl]-3-(2-methylpyrazol-3-yl)urea
SMILESCCO[C@@H](CNC(=O)Nc1ccnn1C)c1ccccc1
InChIInChI=1S/C15H20N4O2/c1-3-21-13(12-7-5-4-6-8-12)11-16-15(20)18-14-9-10-17-19(14)2/h4-10,13H,3,11H2,1-2H3,(H2,16,18,20)/t13-/m0/s1
InChIKeyGLCVXJWVNDOYDA-ZDUSSCGKSA-N
MW288.35 g/mol
LogP2.32
Rot. Bonds6

About 1-[(2R)-2-ethoxy-2-phenylethyl]-3-(2-methylpyrazol-3-yl)urea

1-[(2R)-2-ethoxy-2-phenylethyl]-3-(2-methylpyrazol-3-yl)urea (PubChem CID 99840154) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-[(2R)-2-ethoxy-2-phenylethyl]-3-(2-methylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-[(2R)-2-ethoxy-2-phenylethyl]-3-(2-methylpyrazol-3-yl)urea
PubChem CID99840154
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name1-[(2R)-2-ethoxy-2-phenylethyl]-3-(2-methylpyrazol-3-yl)urea
SMILESCCO[C@@H](CNC(=O)Nc1ccnn1C)c1ccccc1
InChIInChI=1S/C15H20N4O2/c1-3-21-13(12-7-5-4-6-8-12)11-16-15(20)18-14-9-10-17-19(14)2/h4-10,13H,3,11H2,1-2H3,(H2,16,18,20)/t13-/m0/s1
InChIKeyGLCVXJWVNDOYDA-ZDUSSCGKSA-N
XLogP2.32
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-ethoxy-2-phenylethyl]-3-(2-methylpyrazol-3-yl)urea?
The IUPAC name of 1-[(2R)-2-ethoxy-2-phenylethyl]-3-(2-methylpyrazol-3-yl)urea (CID 99840154) is 1-[(2R)-2-ethoxy-2-phenylethyl]-3-(2-methylpyrazol-3-yl)urea.
What is the SMILES notation for 1-[(2R)-2-ethoxy-2-phenylethyl]-3-(2-methylpyrazol-3-yl)urea?
The canonical SMILES for 1-[(2R)-2-ethoxy-2-phenylethyl]-3-(2-methylpyrazol-3-yl)urea is CCO[C@@H](CNC(=O)Nc1ccnn1C)c1ccccc1.
What is the InChIKey of 1-[(2R)-2-ethoxy-2-phenylethyl]-3-(2-methylpyrazol-3-yl)urea?
The InChIKey is GLCVXJWVNDOYDA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-3-21-13(12-7-5-4-6-8-12)11-16-15(20)18-14-9-10-17-19(14)2/h4-10,13H,3,11H2,1-2H3,(H2,16,18,20)/t13-/m0/s1.
What are the key properties of 1-[(2R)-2-ethoxy-2-phenylethyl]-3-(2-methylpyrazol-3-yl)urea?
1-[(2R)-2-ethoxy-2-phenylethyl]-3-(2-methylpyrazol-3-yl)urea has a molecular weight of 288.35 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-ethoxy-2-phenylethyl]-3-(2-methylpyrazol-3-yl)urea is sourced from PubChem (CID 99840154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).