[2-(2-hydroxypropyl)pyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone

C14H23N3O2 — CID 79547043

IUPAC[2-(2-hydroxypropyl)pyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
SMILESCc1nn(C)c(C)c1C(=O)N1CCCC1CC(C)O
InChIInChI=1S/C14H23N3O2/c1-9(18)8-12-6-5-7-17(12)14(19)13-10(2)15-16(4)11(13)3/h9,12,18H,5-8H2,1-4H3
InChIKeyFHKXZAUXSGSSNG-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.41
Rot. Bonds3

About [2-(2-hydroxypropyl)pyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone

[2-(2-hydroxypropyl)pyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone (PubChem CID 79547043) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is [2-(2-hydroxypropyl)pyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[2-(2-hydroxypropyl)pyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
PubChem CID79547043
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name[2-(2-hydroxypropyl)pyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
SMILESCc1nn(C)c(C)c1C(=O)N1CCCC1CC(C)O
InChIInChI=1S/C14H23N3O2/c1-9(18)8-12-6-5-7-17(12)14(19)13-10(2)15-16(4)11(13)3/h9,12,18H,5-8H2,1-4H3
InChIKeyFHKXZAUXSGSSNG-UHFFFAOYSA-N
XLogP1.41
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(1,3,5-trimethylpyrazole-4-carbonyl)pyrrolidin-2-yl]propan-2-one
CID 79540858
[2-(methylaminomethyl)pyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 115316280
(1,5-dimethylpyrazol-4-yl)-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 79547117
2-(2-hydroxypropyl)-N,N-dimethylpyrrolidine-1-carboxamide
CID 79547049
[2-(2-hydroxypropyl)azepan-1-yl]-(2,4,5-trimethylfuran-3-yl)methanone
CID 79539838
methyl 1-(1,3,5-trimethylpyrazole-4-carbonyl)piperidine-2-carboxylate
CID 115535701
4-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2,5,6-trimethylpyridazin-3-one
CID 66261719
ethyl (2S)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxylate
CID 56933985
1-[2-(2-hydroxypropyl)piperidin-1-yl]-2-methylpropan-1-one
CID 79549260
1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]propan-1-one
CID 79546453
[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 102785588
(1,5-dimethylpyrazol-3-yl)-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]methanone
CID 111472339

Frequently Asked Questions

What is the IUPAC name of [2-(2-hydroxypropyl)pyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?
The IUPAC name of [2-(2-hydroxypropyl)pyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone (CID 79547043) is [2-(2-hydroxypropyl)pyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone.
What is the SMILES notation for [2-(2-hydroxypropyl)pyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?
The canonical SMILES for [2-(2-hydroxypropyl)pyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone is Cc1nn(C)c(C)c1C(=O)N1CCCC1CC(C)O.
What is the InChIKey of [2-(2-hydroxypropyl)pyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?
The InChIKey is FHKXZAUXSGSSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-9(18)8-12-6-5-7-17(12)14(19)13-10(2)15-16(4)11(13)3/h9,12,18H,5-8H2,1-4H3.
What are the key properties of [2-(2-hydroxypropyl)pyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?
[2-(2-hydroxypropyl)pyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone has a molecular weight of 265.36 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-hydroxypropyl)pyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone is sourced from PubChem (CID 79547043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).