1-[2-(2-hydroxy-2-phenylethyl)pyrazol-3-yl]-3-propan-2-ylurea

C15H20N4O2 — CID 16747859

IUPAC1-[2-(2-hydroxy-2-phenylethyl)pyrazol-3-yl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccnn1CC(O)c1ccccc1
InChIInChI=1S/C15H20N4O2/c1-11(2)17-15(21)18-14-8-9-16-19(14)10-13(20)12-6-4-3-5-7-12/h3-9,11,13,20H,10H2,1-2H3,(H2,17,18,21)
InChIKeyDYTLINKYFYKDNE-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.15
Rot. Bonds5

About 1-[2-(2-hydroxy-2-phenylethyl)pyrazol-3-yl]-3-propan-2-ylurea

1-[2-(2-hydroxy-2-phenylethyl)pyrazol-3-yl]-3-propan-2-ylurea (PubChem CID 16747859) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-[2-(2-hydroxy-2-phenylethyl)pyrazol-3-yl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[2-(2-hydroxy-2-phenylethyl)pyrazol-3-yl]-3-propan-2-ylurea
PubChem CID16747859
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name1-[2-(2-hydroxy-2-phenylethyl)pyrazol-3-yl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccnn1CC(O)c1ccccc1
InChIInChI=1S/C15H20N4O2/c1-11(2)17-15(21)18-14-8-9-16-19(14)10-13(20)12-6-4-3-5-7-12/h3-9,11,13,20H,10H2,1-2H3,(H2,17,18,21)
InChIKeyDYTLINKYFYKDNE-UHFFFAOYSA-N
XLogP2.15
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxy-2-phenylethyl)pyrazol-3-yl]-3-propan-2-ylurea?
The IUPAC name of 1-[2-(2-hydroxy-2-phenylethyl)pyrazol-3-yl]-3-propan-2-ylurea (CID 16747859) is 1-[2-(2-hydroxy-2-phenylethyl)pyrazol-3-yl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[2-(2-hydroxy-2-phenylethyl)pyrazol-3-yl]-3-propan-2-ylurea?
The canonical SMILES for 1-[2-(2-hydroxy-2-phenylethyl)pyrazol-3-yl]-3-propan-2-ylurea is CC(C)NC(=O)Nc1ccnn1CC(O)c1ccccc1.
What is the InChIKey of 1-[2-(2-hydroxy-2-phenylethyl)pyrazol-3-yl]-3-propan-2-ylurea?
The InChIKey is DYTLINKYFYKDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-11(2)17-15(21)18-14-8-9-16-19(14)10-13(20)12-6-4-3-5-7-12/h3-9,11,13,20H,10H2,1-2H3,(H2,17,18,21).
What are the key properties of 1-[2-(2-hydroxy-2-phenylethyl)pyrazol-3-yl]-3-propan-2-ylurea?
1-[2-(2-hydroxy-2-phenylethyl)pyrazol-3-yl]-3-propan-2-ylurea has a molecular weight of 288.35 g/mol, XLogP of 2.15, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxy-2-phenylethyl)pyrazol-3-yl]-3-propan-2-ylurea is sourced from PubChem (CID 16747859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).