(2,5-dimethylpyrazol-3-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone

C11H17N3O2 — CID 66128203

IUPAC(2,5-dimethylpyrazol-3-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCC(CO)C2)n(C)n1
InChIInChI=1S/C11H17N3O2/c1-8-5-10(13(2)12-8)11(16)14-4-3-9(6-14)7-15/h5,9,15H,3-4,6-7H2,1-2H3
InChIKeyGQPBWAWFEBQGDL-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.18
Rot. Bonds2

About (2,5-dimethylpyrazol-3-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone

(2,5-dimethylpyrazol-3-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 66128203) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is (2,5-dimethylpyrazol-3-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethylpyrazol-3-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
PubChem CID66128203
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name(2,5-dimethylpyrazol-3-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCC(CO)C2)n(C)n1
InChIInChI=1S/C11H17N3O2/c1-8-5-10(13(2)12-8)11(16)14-4-3-9(6-14)7-15/h5,9,15H,3-4,6-7H2,1-2H3
InChIKeyGQPBWAWFEBQGDL-UHFFFAOYSA-N
XLogP0.18
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,5-dimethylpyrazol-3-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 66127135
3,9-diazabicyclo[4.2.1]nonan-3-yl-(2,5-dimethylpyrazol-3-yl)methanone
CID 81483265
(2,5-dimethylpyrazol-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119647002
(3-chloropiperidin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone
CID 66126511
(2,5-dimethylpyrazol-3-yl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 114498196
(2,5-dimethylpyrazol-3-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 66126872
(3,5-dimethylpiperidin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone
CID 56725204
(3S)-1-(2,5-dimethylpyrazole-3-carbonyl)piperidine-3-carboxylic acid
CID 78996840
1-[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]ethanone
CID 110685852
(2,5-dimethylpyrazol-3-yl)-piperazin-1-ylmethanone;hydrochloride
CID 119402592
[3-(2-chloroethyl)pyrrolidin-1-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 114801021
[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone
CID 91945394

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylpyrazol-3-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2,5-dimethylpyrazol-3-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone (CID 66128203) is (2,5-dimethylpyrazol-3-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2,5-dimethylpyrazol-3-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2,5-dimethylpyrazol-3-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone is Cc1cc(C(=O)N2CCC(CO)C2)n(C)n1.
What is the InChIKey of (2,5-dimethylpyrazol-3-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is GQPBWAWFEBQGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8-5-10(13(2)12-8)11(16)14-4-3-9(6-14)7-15/h5,9,15H,3-4,6-7H2,1-2H3.
What are the key properties of (2,5-dimethylpyrazol-3-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone?
(2,5-dimethylpyrazol-3-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 223.28 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylpyrazol-3-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 66128203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).