2-[3-[(3S)-1-pyrimidin-2-ylpyrrolidin-3-yl]-1H-pyrazol-5-yl]ethanol

C13H17N5O — CID 95840747

IUPAC2-[3-[(3S)-1-pyrimidin-2-ylpyrrolidin-3-yl]-1H-pyrazol-5-yl]ethanol
SMILESOCCc1cc([C@H]2CCN(c3ncccn3)C2)n[nH]1
InChIInChI=1S/C13H17N5O/c19-7-3-11-8-12(17-16-11)10-2-6-18(9-10)13-14-4-1-5-15-13/h1,4-5,8,10,19H,2-3,6-7,9H2,(H,16,17)/t10-/m0/s1
InChIKeyPXTYNFCFZNUDDM-JTQLQIEISA-N
MW259.31 g/mol
LogP0.73
Rot. Bonds4

About 2-[3-[(3S)-1-pyrimidin-2-ylpyrrolidin-3-yl]-1H-pyrazol-5-yl]ethanol

2-[3-[(3S)-1-pyrimidin-2-ylpyrrolidin-3-yl]-1H-pyrazol-5-yl]ethanol (PubChem CID 95840747) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[3-[(3S)-1-pyrimidin-2-ylpyrrolidin-3-yl]-1H-pyrazol-5-yl]ethanol.

Molecular Properties

Compound Name2-[3-[(3S)-1-pyrimidin-2-ylpyrrolidin-3-yl]-1H-pyrazol-5-yl]ethanol
PubChem CID95840747
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name2-[3-[(3S)-1-pyrimidin-2-ylpyrrolidin-3-yl]-1H-pyrazol-5-yl]ethanol
SMILESOCCc1cc([C@H]2CCN(c3ncccn3)C2)n[nH]1
InChIInChI=1S/C13H17N5O/c19-7-3-11-8-12(17-16-11)10-2-6-18(9-10)13-14-4-1-5-15-13/h1,4-5,8,10,19H,2-3,6-7,9H2,(H,16,17)/t10-/m0/s1
InChIKeyPXTYNFCFZNUDDM-JTQLQIEISA-N
XLogP0.73
TPSA77.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3S)-1-pyrimidin-2-ylpyrrolidin-3-yl]-1H-pyrazol-5-yl]ethanol?
The IUPAC name of 2-[3-[(3S)-1-pyrimidin-2-ylpyrrolidin-3-yl]-1H-pyrazol-5-yl]ethanol (CID 95840747) is 2-[3-[(3S)-1-pyrimidin-2-ylpyrrolidin-3-yl]-1H-pyrazol-5-yl]ethanol.
What is the SMILES notation for 2-[3-[(3S)-1-pyrimidin-2-ylpyrrolidin-3-yl]-1H-pyrazol-5-yl]ethanol?
The canonical SMILES for 2-[3-[(3S)-1-pyrimidin-2-ylpyrrolidin-3-yl]-1H-pyrazol-5-yl]ethanol is OCCc1cc([C@H]2CCN(c3ncccn3)C2)n[nH]1.
What is the InChIKey of 2-[3-[(3S)-1-pyrimidin-2-ylpyrrolidin-3-yl]-1H-pyrazol-5-yl]ethanol?
The InChIKey is PXTYNFCFZNUDDM-JTQLQIEISA-N. The full InChI is InChI=1S/C13H17N5O/c19-7-3-11-8-12(17-16-11)10-2-6-18(9-10)13-14-4-1-5-15-13/h1,4-5,8,10,19H,2-3,6-7,9H2,(H,16,17)/t10-/m0/s1.
What are the key properties of 2-[3-[(3S)-1-pyrimidin-2-ylpyrrolidin-3-yl]-1H-pyrazol-5-yl]ethanol?
2-[3-[(3S)-1-pyrimidin-2-ylpyrrolidin-3-yl]-1H-pyrazol-5-yl]ethanol has a molecular weight of 259.31 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3S)-1-pyrimidin-2-ylpyrrolidin-3-yl]-1H-pyrazol-5-yl]ethanol is sourced from PubChem (CID 95840747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).