1-butyl-3-(1-ethylpyrazol-4-yl)-1-(2-hydroxyethyl)urea

C12H22N4O2 — CID 47200418

IUPAC1-butyl-3-(1-ethylpyrazol-4-yl)-1-(2-hydroxyethyl)urea
SMILESCCCCN(CCO)C(=O)Nc1cnn(CC)c1
InChIInChI=1S/C12H22N4O2/c1-3-5-6-15(7-8-17)12(18)14-11-9-13-16(4-2)10-11/h9-10,17H,3-8H2,1-2H3,(H,14,18)
InChIKeyPMLVAZVEKOUZNY-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.53
Rot. Bonds7

About 1-butyl-3-(1-ethylpyrazol-4-yl)-1-(2-hydroxyethyl)urea

1-butyl-3-(1-ethylpyrazol-4-yl)-1-(2-hydroxyethyl)urea (PubChem CID 47200418) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-butyl-3-(1-ethylpyrazol-4-yl)-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-butyl-3-(1-ethylpyrazol-4-yl)-1-(2-hydroxyethyl)urea
PubChem CID47200418
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name1-butyl-3-(1-ethylpyrazol-4-yl)-1-(2-hydroxyethyl)urea
SMILESCCCCN(CCO)C(=O)Nc1cnn(CC)c1
InChIInChI=1S/C12H22N4O2/c1-3-5-6-15(7-8-17)12(18)14-11-9-13-16(4-2)10-11/h9-10,17H,3-8H2,1-2H3,(H,14,18)
InChIKeyPMLVAZVEKOUZNY-UHFFFAOYSA-N
XLogP1.53
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(1-ethylpyrazol-4-yl)-1-(2-hydroxyethyl)urea?
The IUPAC name of 1-butyl-3-(1-ethylpyrazol-4-yl)-1-(2-hydroxyethyl)urea (CID 47200418) is 1-butyl-3-(1-ethylpyrazol-4-yl)-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-butyl-3-(1-ethylpyrazol-4-yl)-1-(2-hydroxyethyl)urea?
The canonical SMILES for 1-butyl-3-(1-ethylpyrazol-4-yl)-1-(2-hydroxyethyl)urea is CCCCN(CCO)C(=O)Nc1cnn(CC)c1.
What is the InChIKey of 1-butyl-3-(1-ethylpyrazol-4-yl)-1-(2-hydroxyethyl)urea?
The InChIKey is PMLVAZVEKOUZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-3-5-6-15(7-8-17)12(18)14-11-9-13-16(4-2)10-11/h9-10,17H,3-8H2,1-2H3,(H,14,18).
What are the key properties of 1-butyl-3-(1-ethylpyrazol-4-yl)-1-(2-hydroxyethyl)urea?
1-butyl-3-(1-ethylpyrazol-4-yl)-1-(2-hydroxyethyl)urea has a molecular weight of 254.33 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(1-ethylpyrazol-4-yl)-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 47200418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).