2-[[6-(3,5-diphenylpyrazol-1-yl)pyrimidin-4-yl]amino]ethanol

C21H19N5O — CID 3236972

IUPAC2-[[6-(3,5-diphenylpyrazol-1-yl)pyrimidin-4-yl]amino]ethanol
SMILESOCCNc1cc(-n2nc(-c3ccccc3)cc2-c2ccccc2)ncn1
InChIInChI=1S/C21H19N5O/c27-12-11-22-20-14-21(24-15-23-20)26-19(17-9-5-2-6-10-17)13-18(25-26)16-7-3-1-4-8-16/h1-10,13-15,27H,11-12H2,(H,22,23,24)
InChIKeyKMJGFJQRZBEAOQ-UHFFFAOYSA-N
MW357.42 g/mol
LogP3.40
Rot. Bonds6

About 2-[[6-(3,5-diphenylpyrazol-1-yl)pyrimidin-4-yl]amino]ethanol

2-[[6-(3,5-diphenylpyrazol-1-yl)pyrimidin-4-yl]amino]ethanol (PubChem CID 3236972) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is 2-[[6-(3,5-diphenylpyrazol-1-yl)pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[6-(3,5-diphenylpyrazol-1-yl)pyrimidin-4-yl]amino]ethanol
PubChem CID3236972
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC Name2-[[6-(3,5-diphenylpyrazol-1-yl)pyrimidin-4-yl]amino]ethanol
SMILESOCCNc1cc(-n2nc(-c3ccccc3)cc2-c2ccccc2)ncn1
InChIInChI=1S/C21H19N5O/c27-12-11-22-20-14-21(24-15-23-20)26-19(17-9-5-2-6-10-17)13-18(25-26)16-7-3-1-4-8-16/h1-10,13-15,27H,11-12H2,(H,22,23,24)
InChIKeyKMJGFJQRZBEAOQ-UHFFFAOYSA-N
XLogP3.40
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(3,5-diphenylpyrazol-1-yl)pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[[6-(3,5-diphenylpyrazol-1-yl)pyrimidin-4-yl]amino]ethanol (CID 3236972) is 2-[[6-(3,5-diphenylpyrazol-1-yl)pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[6-(3,5-diphenylpyrazol-1-yl)pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[6-(3,5-diphenylpyrazol-1-yl)pyrimidin-4-yl]amino]ethanol is OCCNc1cc(-n2nc(-c3ccccc3)cc2-c2ccccc2)ncn1.
What is the InChIKey of 2-[[6-(3,5-diphenylpyrazol-1-yl)pyrimidin-4-yl]amino]ethanol?
The InChIKey is KMJGFJQRZBEAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c27-12-11-22-20-14-21(24-15-23-20)26-19(17-9-5-2-6-10-17)13-18(25-26)16-7-3-1-4-8-16/h1-10,13-15,27H,11-12H2,(H,22,23,24).
What are the key properties of 2-[[6-(3,5-diphenylpyrazol-1-yl)pyrimidin-4-yl]amino]ethanol?
2-[[6-(3,5-diphenylpyrazol-1-yl)pyrimidin-4-yl]amino]ethanol has a molecular weight of 357.42 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(3,5-diphenylpyrazol-1-yl)pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 3236972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).