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

C12H21N3O — CID 73439526

IUPAC2-[3-(1-propan-2-ylpyrrolidin-2-yl)-1H-pyrazol-5-yl]ethanol
SMILESCC(C)N1CCCC1c1cc(CCO)[nH]n1
InChIInChI=1S/C12H21N3O/c1-9(2)15-6-3-4-12(15)11-8-10(5-7-16)13-14-11/h8-9,12,16H,3-7H2,1-2H3,(H,13,14)
InChIKeyDUMIXPHNIFSMHB-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.49
Rot. Bonds4

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

2-[3-(1-propan-2-ylpyrrolidin-2-yl)-1H-pyrazol-5-yl]ethanol (PubChem CID 73439526) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[3-(1-propan-2-ylpyrrolidin-2-yl)-1H-pyrazol-5-yl]ethanol.

Molecular Properties

Compound Name2-[3-(1-propan-2-ylpyrrolidin-2-yl)-1H-pyrazol-5-yl]ethanol
PubChem CID73439526
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-[3-(1-propan-2-ylpyrrolidin-2-yl)-1H-pyrazol-5-yl]ethanol
SMILESCC(C)N1CCCC1c1cc(CCO)[nH]n1
InChIInChI=1S/C12H21N3O/c1-9(2)15-6-3-4-12(15)11-8-10(5-7-16)13-14-11/h8-9,12,16H,3-7H2,1-2H3,(H,13,14)
InChIKeyDUMIXPHNIFSMHB-UHFFFAOYSA-N
XLogP1.49
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-propan-2-ylpyrrolidin-2-yl)-1H-pyrazol-5-yl]ethanol?
The IUPAC name of 2-[3-(1-propan-2-ylpyrrolidin-2-yl)-1H-pyrazol-5-yl]ethanol (CID 73439526) is 2-[3-(1-propan-2-ylpyrrolidin-2-yl)-1H-pyrazol-5-yl]ethanol.
What is the SMILES notation for 2-[3-(1-propan-2-ylpyrrolidin-2-yl)-1H-pyrazol-5-yl]ethanol?
The canonical SMILES for 2-[3-(1-propan-2-ylpyrrolidin-2-yl)-1H-pyrazol-5-yl]ethanol is CC(C)N1CCCC1c1cc(CCO)[nH]n1.
What is the InChIKey of 2-[3-(1-propan-2-ylpyrrolidin-2-yl)-1H-pyrazol-5-yl]ethanol?
The InChIKey is DUMIXPHNIFSMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9(2)15-6-3-4-12(15)11-8-10(5-7-16)13-14-11/h8-9,12,16H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 2-[3-(1-propan-2-ylpyrrolidin-2-yl)-1H-pyrazol-5-yl]ethanol?
2-[3-(1-propan-2-ylpyrrolidin-2-yl)-1H-pyrazol-5-yl]ethanol has a molecular weight of 223.32 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-propan-2-ylpyrrolidin-2-yl)-1H-pyrazol-5-yl]ethanol is sourced from PubChem (CID 73439526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).