1-(1-ethylpyrazol-4-yl)-3-(2-hydroxy-2-phenylethyl)urea

C14H18N4O2 — CID 47200304

IUPAC1-(1-ethylpyrazol-4-yl)-3-(2-hydroxy-2-phenylethyl)urea
SMILESCCn1cc(NC(=O)NCC(O)c2ccccc2)cn1
InChIInChI=1S/C14H18N4O2/c1-2-18-10-12(8-16-18)17-14(20)15-9-13(19)11-6-4-3-5-7-11/h3-8,10,13,19H,2,9H2,1H3,(H2,15,17,20)
InChIKeyCXODCZVVBWZDDT-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.76
Rot. Bonds5

About 1-(1-ethylpyrazol-4-yl)-3-(2-hydroxy-2-phenylethyl)urea

1-(1-ethylpyrazol-4-yl)-3-(2-hydroxy-2-phenylethyl)urea (PubChem CID 47200304) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)-3-(2-hydroxy-2-phenylethyl)urea.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)-3-(2-hydroxy-2-phenylethyl)urea
PubChem CID47200304
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name1-(1-ethylpyrazol-4-yl)-3-(2-hydroxy-2-phenylethyl)urea
SMILESCCn1cc(NC(=O)NCC(O)c2ccccc2)cn1
InChIInChI=1S/C14H18N4O2/c1-2-18-10-12(8-16-18)17-14(20)15-9-13(19)11-6-4-3-5-7-11/h3-8,10,13,19H,2,9H2,1H3,(H2,15,17,20)
InChIKeyCXODCZVVBWZDDT-UHFFFAOYSA-N
XLogP1.76
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)-3-(2-hydroxy-2-phenylethyl)urea?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)-3-(2-hydroxy-2-phenylethyl)urea (CID 47200304) is 1-(1-ethylpyrazol-4-yl)-3-(2-hydroxy-2-phenylethyl)urea.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)-3-(2-hydroxy-2-phenylethyl)urea?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)-3-(2-hydroxy-2-phenylethyl)urea is CCn1cc(NC(=O)NCC(O)c2ccccc2)cn1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)-3-(2-hydroxy-2-phenylethyl)urea?
The InChIKey is CXODCZVVBWZDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-2-18-10-12(8-16-18)17-14(20)15-9-13(19)11-6-4-3-5-7-11/h3-8,10,13,19H,2,9H2,1H3,(H2,15,17,20).
What are the key properties of 1-(1-ethylpyrazol-4-yl)-3-(2-hydroxy-2-phenylethyl)urea?
1-(1-ethylpyrazol-4-yl)-3-(2-hydroxy-2-phenylethyl)urea has a molecular weight of 274.32 g/mol, XLogP of 1.76, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)-3-(2-hydroxy-2-phenylethyl)urea is sourced from PubChem (CID 47200304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).