2-[4-(3-hydroxypropyl)pyrazol-1-yl]-1-pyrrolidin-1-ylethanone

C12H19N3O2 — CID 122240516

IUPAC2-[4-(3-hydroxypropyl)pyrazol-1-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(Cn1cc(CCCO)cn1)N1CCCC1
InChIInChI=1S/C12H19N3O2/c16-7-3-4-11-8-13-15(9-11)10-12(17)14-5-1-2-6-14/h8-9,16H,1-7,10H2
InChIKeyLINVFGNCRATOKD-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.43
Rot. Bonds5

About 2-[4-(3-hydroxypropyl)pyrazol-1-yl]-1-pyrrolidin-1-ylethanone

2-[4-(3-hydroxypropyl)pyrazol-1-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 122240516) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-[4-(3-hydroxypropyl)pyrazol-1-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-(3-hydroxypropyl)pyrazol-1-yl]-1-pyrrolidin-1-ylethanone
PubChem CID122240516
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-[4-(3-hydroxypropyl)pyrazol-1-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(Cn1cc(CCCO)cn1)N1CCCC1
InChIInChI=1S/C12H19N3O2/c16-7-3-4-11-8-13-15(9-11)10-12(17)14-5-1-2-6-14/h8-9,16H,1-7,10H2
InChIKeyLINVFGNCRATOKD-UHFFFAOYSA-N
XLogP0.43
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-iodopyrazol-1-yl)-1-pyrrolidin-1-ylethanone
CID 5299765
1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-4-carbaldehyde
CID 122240500
2-(4-ethynylpyrazol-1-yl)-1-pyrrolidin-1-ylethanone
CID 122240514
tert-butyl 2-[4-(3-hydroxypropyl)pyrazol-1-yl]acetate
CID 122240642
1-(azepan-1-yl)-2-(4-nitropyrazol-1-yl)ethanone
CID 17383712
(2-oxo-2-piperidin-1-ylethyl) 2-(4-aminopyrazol-1-yl)acetate
CID 61315409
3-[4-(3-hydroxypropyl)pyrazol-1-yl]propanenitrile
CID 62718415
CID 123280333
CID 123280333
2-(4-aminopyrazol-1-yl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 107209661
1-(2-morpholin-4-yl-2-oxoethyl)pyrazole-4-carboxylic acid
CID 19622291
2-(4-aminopyrazol-1-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 43590005
2-(4-chloropyrazol-1-yl)-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 136526860

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-hydroxypropyl)pyrazol-1-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[4-(3-hydroxypropyl)pyrazol-1-yl]-1-pyrrolidin-1-ylethanone (CID 122240516) is 2-[4-(3-hydroxypropyl)pyrazol-1-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[4-(3-hydroxypropyl)pyrazol-1-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[4-(3-hydroxypropyl)pyrazol-1-yl]-1-pyrrolidin-1-ylethanone is O=C(Cn1cc(CCCO)cn1)N1CCCC1.
What is the InChIKey of 2-[4-(3-hydroxypropyl)pyrazol-1-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is LINVFGNCRATOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c16-7-3-4-11-8-13-15(9-11)10-12(17)14-5-1-2-6-14/h8-9,16H,1-7,10H2.
What are the key properties of 2-[4-(3-hydroxypropyl)pyrazol-1-yl]-1-pyrrolidin-1-ylethanone?
2-[4-(3-hydroxypropyl)pyrazol-1-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 237.30 g/mol, XLogP of 0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-hydroxypropyl)pyrazol-1-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 122240516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).