1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylpropan-1-one

C12H19N3O2 — CID 113268931

IUPAC1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylpropan-1-one
SMILESCC(C(=O)N1CCC(CCO)C1)n1cccn1
InChIInChI=1S/C12H19N3O2/c1-10(15-6-2-5-13-15)12(17)14-7-3-11(9-14)4-8-16/h2,5-6,10-11,16H,3-4,7-9H2,1H3
InChIKeyHPDMASDEGCNCKL-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.68
Rot. Bonds4

About 1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylpropan-1-one

1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylpropan-1-one (PubChem CID 113268931) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylpropan-1-one
PubChem CID113268931
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylpropan-1-one
SMILESCC(C(=O)N1CCC(CCO)C1)n1cccn1
InChIInChI=1S/C12H19N3O2/c1-10(15-6-2-5-13-15)12(17)14-7-3-11(9-14)4-8-16/h2,5-6,10-11,16H,3-4,7-9H2,1H3
InChIKeyHPDMASDEGCNCKL-UHFFFAOYSA-N
XLogP0.68
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(2-aminoethyl)piperidin-1-yl]-2-pyrazol-1-ylpropan-1-one;dihydrochloride
CID 120727627
1-[3-(aminomethyl)piperidin-1-yl]-2-pyrazol-1-ylpropan-1-one;dihydrochloride
CID 119464816
1-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylpropan-1-one
CID 112630605
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-pyrazol-1-ylpropan-1-one
CID 81426063
1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-2-pyrazol-1-ylpropan-1-one
CID 80552288
2-pyrazol-1-yl-1-[4-(triazol-2-yl)piperidin-1-yl]propan-1-one
CID 121165072
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-methyl-2-sulfanylbutan-1-one
CID 107036526
3-[1-(2-pyrazol-1-ylpropanoyl)piperidin-3-yl]butanoic acid
CID 81042767
1-(4-acetylpiperazin-1-yl)-2-pyrazol-1-ylpropan-1-one
CID 51076824
1-[3-(1-aminoethyl)piperidin-1-yl]-2-pyrazol-1-ylpropan-1-one;dihydrochloride
CID 119592942
1-[(2S)-2-pyrazol-1-ylpropanoyl]azetidine-3-carboxylic acid
CID 129493584
1-morpholin-4-yl-2-pyrazol-1-ylpropan-1-one
CID 51076822

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylpropan-1-one?
The IUPAC name of 1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylpropan-1-one (CID 113268931) is 1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylpropan-1-one.
What is the SMILES notation for 1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylpropan-1-one?
The canonical SMILES for 1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylpropan-1-one is CC(C(=O)N1CCC(CCO)C1)n1cccn1.
What is the InChIKey of 1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylpropan-1-one?
The InChIKey is HPDMASDEGCNCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-10(15-6-2-5-13-15)12(17)14-7-3-11(9-14)4-8-16/h2,5-6,10-11,16H,3-4,7-9H2,1H3.
What are the key properties of 1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylpropan-1-one?
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylpropan-1-one has a molecular weight of 237.30 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylpropan-1-one is sourced from PubChem (CID 113268931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).