2-amino-1-[3-(4-chlorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]ethanol

C15H14ClN5O — CID 67470683

IUPAC2-amino-1-[3-(4-chlorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]ethanol
SMILESNCC(O)c1cc(-c2ccc(Cl)cc2)nn1-c1ncccn1
InChIInChI=1S/C15H14ClN5O/c16-11-4-2-10(3-5-11)12-8-13(14(22)9-17)21(20-12)15-18-6-1-7-19-15/h1-8,14,22H,9,17H2
InChIKeyWXFYDXCDGNEIEC-UHFFFAOYSA-N
MW315.76 g/mol
LogP1.97
Rot. Bonds4

About 2-amino-1-[3-(4-chlorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]ethanol

2-amino-1-[3-(4-chlorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]ethanol (PubChem CID 67470683) has the molecular formula C15H14ClN5O and a molecular weight of 315.76 g/mol. Its IUPAC name is 2-amino-1-[3-(4-chlorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]ethanol.

Molecular Properties

Compound Name2-amino-1-[3-(4-chlorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]ethanol
PubChem CID67470683
Molecular FormulaC15H14ClN5O
Molecular Weight315.76 g/mol
Exact Mass315.09
IUPAC Name2-amino-1-[3-(4-chlorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]ethanol
SMILESNCC(O)c1cc(-c2ccc(Cl)cc2)nn1-c1ncccn1
InChIInChI=1S/C15H14ClN5O/c16-11-4-2-10(3-5-11)12-8-13(14(22)9-17)21(20-12)15-18-6-1-7-19-15/h1-8,14,22H,9,17H2
InChIKeyWXFYDXCDGNEIEC-UHFFFAOYSA-N
XLogP1.97
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-(4-chlorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]ethanol?
The IUPAC name of 2-amino-1-[3-(4-chlorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]ethanol (CID 67470683) is 2-amino-1-[3-(4-chlorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]ethanol.
What is the SMILES notation for 2-amino-1-[3-(4-chlorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]ethanol?
The canonical SMILES for 2-amino-1-[3-(4-chlorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]ethanol is NCC(O)c1cc(-c2ccc(Cl)cc2)nn1-c1ncccn1.
What is the InChIKey of 2-amino-1-[3-(4-chlorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]ethanol?
The InChIKey is WXFYDXCDGNEIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5O/c16-11-4-2-10(3-5-11)12-8-13(14(22)9-17)21(20-12)15-18-6-1-7-19-15/h1-8,14,22H,9,17H2.
What are the key properties of 2-amino-1-[3-(4-chlorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]ethanol?
2-amino-1-[3-(4-chlorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]ethanol has a molecular weight of 315.76 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-(4-chlorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]ethanol is sourced from PubChem (CID 67470683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).