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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Related Compounds

1-[2-(2-Hydroxy-2-phenylethyl)pyrazol-3-yl]-3-propan-2-ylurea
CID 16747859
1-[4-Cyano-1-(2-hydroxy-2-phenylethyl)pyrazol-5-yl]-3-propan-2-ylurea
CID 16749344
5-(hydroxymethyl)-N-[1-(3-methylbutyl)pyrazol-4-yl]-1,3-dihydroisoindole-2-carboxamide
CID 57510220
1-[1-(2,6-Difluorophenyl)propan-2-yl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea
CID 45833087
1-(1-Ethylpyrazol-4-yl)-3-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]urea
CID 47071649
1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(1-ethylpyrazol-4-yl)urea
CID 53502654
1-[(2-Hydroxyphenyl)methyl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]-1-propylurea
CID 53603323
1-(3,4-Difluorophenyl)-2-[2-(4-methylpyrazol-1-yl)ethylamino]ethanol
CID 53621988
1-(3-Fluorophenyl)-2-(2-pyrazol-1-ylethylamino)ethanol
CID 56828862
1-(3,4-Difluorophenyl)-2-(2-pyrazol-1-ylethylamino)ethanol
CID 56828863
1-(1-Benzylpyrazol-4-yl)-3-(2-cyclopropyl-2-hydroxyethyl)urea
CID 71867139
N-(1-benzylpyrazol-4-yl)-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 71916537

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).