2-[3-[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-yl]-1H-pyrazol-5-yl]ethanol

C15H21N5O — CID 110270842

IUPAC2-[3-[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-yl]-1H-pyrazol-5-yl]ethanol
SMILESCc1cc(C)nc(N2CCC(c3cc(CCO)[nH]n3)C2)n1
InChIInChI=1S/C15H21N5O/c1-10-7-11(2)17-15(16-10)20-5-3-12(9-20)14-8-13(4-6-21)18-19-14/h7-8,12,21H,3-6,9H2,1-2H3,(H,18,19)
InChIKeyQUQBKBZQBAYPRX-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.35
Rot. Bonds4

About 2-[3-[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-yl]-1H-pyrazol-5-yl]ethanol

2-[3-[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-yl]-1H-pyrazol-5-yl]ethanol (PubChem CID 110270842) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 2-[3-[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-yl]-1H-pyrazol-5-yl]ethanol.

Molecular Properties

Compound Name2-[3-[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-yl]-1H-pyrazol-5-yl]ethanol
PubChem CID110270842
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name2-[3-[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-yl]-1H-pyrazol-5-yl]ethanol
SMILESCc1cc(C)nc(N2CCC(c3cc(CCO)[nH]n3)C2)n1
InChIInChI=1S/C15H21N5O/c1-10-7-11(2)17-15(16-10)20-5-3-12(9-20)14-8-13(4-6-21)18-19-14/h7-8,12,21H,3-6,9H2,1-2H3,(H,18,19)
InChIKeyQUQBKBZQBAYPRX-UHFFFAOYSA-N
XLogP1.35
TPSA77.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-yl]-1H-pyrazol-5-yl]ethanol?
The IUPAC name of 2-[3-[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-yl]-1H-pyrazol-5-yl]ethanol (CID 110270842) is 2-[3-[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-yl]-1H-pyrazol-5-yl]ethanol.
What is the SMILES notation for 2-[3-[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-yl]-1H-pyrazol-5-yl]ethanol?
The canonical SMILES for 2-[3-[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-yl]-1H-pyrazol-5-yl]ethanol is Cc1cc(C)nc(N2CCC(c3cc(CCO)[nH]n3)C2)n1.
What is the InChIKey of 2-[3-[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-yl]-1H-pyrazol-5-yl]ethanol?
The InChIKey is QUQBKBZQBAYPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-10-7-11(2)17-15(16-10)20-5-3-12(9-20)14-8-13(4-6-21)18-19-14/h7-8,12,21H,3-6,9H2,1-2H3,(H,18,19).
What are the key properties of 2-[3-[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-yl]-1H-pyrazol-5-yl]ethanol?
2-[3-[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-yl]-1H-pyrazol-5-yl]ethanol has a molecular weight of 287.37 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-yl]-1H-pyrazol-5-yl]ethanol is sourced from PubChem (CID 110270842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).