1-ethyl-1-(2-hydroxypropyl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea

C12H22N4O3 — CID 51093544

IUPAC1-ethyl-1-(2-hydroxypropyl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea
SMILESCCN(CC(C)O)C(=O)Nc1cnn(CCOC)c1
InChIInChI=1S/C12H22N4O3/c1-4-15(8-10(2)17)12(18)14-11-7-13-16(9-11)5-6-19-3/h7,9-10,17H,4-6,8H2,1-3H3,(H,14,18)
InChIKeyMKQKKEQIBZZVAY-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.76
Rot. Bonds7

About 1-ethyl-1-(2-hydroxypropyl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea

1-ethyl-1-(2-hydroxypropyl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea (PubChem CID 51093544) has the molecular formula C12H22N4O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-ethyl-1-(2-hydroxypropyl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea.

Molecular Properties

Compound Name1-ethyl-1-(2-hydroxypropyl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea
PubChem CID51093544
Molecular FormulaC12H22N4O3
Molecular Weight270.33 g/mol
Exact Mass270.17
IUPAC Name1-ethyl-1-(2-hydroxypropyl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea
SMILESCCN(CC(C)O)C(=O)Nc1cnn(CCOC)c1
InChIInChI=1S/C12H22N4O3/c1-4-15(8-10(2)17)12(18)14-11-7-13-16(9-11)5-6-19-3/h7,9-10,17H,4-6,8H2,1-3H3,(H,14,18)
InChIKeyMKQKKEQIBZZVAY-UHFFFAOYSA-N
XLogP0.76
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-(2-hydroxypropyl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea?
The IUPAC name of 1-ethyl-1-(2-hydroxypropyl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea (CID 51093544) is 1-ethyl-1-(2-hydroxypropyl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea.
What is the SMILES notation for 1-ethyl-1-(2-hydroxypropyl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea?
The canonical SMILES for 1-ethyl-1-(2-hydroxypropyl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea is CCN(CC(C)O)C(=O)Nc1cnn(CCOC)c1.
What is the InChIKey of 1-ethyl-1-(2-hydroxypropyl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea?
The InChIKey is MKQKKEQIBZZVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3/c1-4-15(8-10(2)17)12(18)14-11-7-13-16(9-11)5-6-19-3/h7,9-10,17H,4-6,8H2,1-3H3,(H,14,18).
What are the key properties of 1-ethyl-1-(2-hydroxypropyl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea?
1-ethyl-1-(2-hydroxypropyl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea has a molecular weight of 270.33 g/mol, XLogP of 0.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-(2-hydroxypropyl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea is sourced from PubChem (CID 51093544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).