(1-ethylpyrazol-4-yl)-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone

C13H21N3O2 — CID 75431671

IUPAC(1-ethylpyrazol-4-yl)-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone
SMILESCCn1cc(C(=O)N2CCCC2CC(C)O)cn1
InChIInChI=1S/C13H21N3O2/c1-3-15-9-11(8-14-15)13(18)16-6-4-5-12(16)7-10(2)17/h8-10,12,17H,3-7H2,1-2H3
InChIKeyIGYTZQYFCGUNFH-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.28
Rot. Bonds4

About (1-ethylpyrazol-4-yl)-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone

(1-ethylpyrazol-4-yl)-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone (PubChem CID 75431671) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is (1-ethylpyrazol-4-yl)-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1-ethylpyrazol-4-yl)-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone
PubChem CID75431671
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name(1-ethylpyrazol-4-yl)-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone
SMILESCCn1cc(C(=O)N2CCCC2CC(C)O)cn1
InChIInChI=1S/C13H21N3O2/c1-3-15-9-11(8-14-15)13(18)16-6-4-5-12(16)7-10(2)17/h8-10,12,17H,3-7H2,1-2H3
InChIKeyIGYTZQYFCGUNFH-UHFFFAOYSA-N
XLogP1.28
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1,5-dimethylpyrazol-4-yl)-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 79547117
[2-(2-hydroxypropyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 79549270
(1-benzylpyrazol-4-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 99698614
(3,5-dihydroxyphenyl)-[2-(2-hydroxypropyl)azepan-1-yl]methanone
CID 107704806
1-[1-[(1-ethylpyrazol-4-yl)methyl]azepan-2-yl]propan-2-ol
CID 114338918
(1-tert-butylpyrazol-4-yl)-[(2S)-2-(2-methylpropyl)azepan-1-yl]methanone
CID 124591057
[4-(difluoromethoxy)phenyl]-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 79538817
(1-methylpyrazol-4-yl)-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95603553
1,3-dihydro-2-benzofuran-5-yl-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 79546805
(1-benzylpyrazol-4-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119649968
2-(2-hydroxypropyl)-N,N-dimethylpyrrolidine-1-carboxamide
CID 79547049
1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]propan-1-one
CID 79546453

Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrazol-4-yl)-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (1-ethylpyrazol-4-yl)-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone (CID 75431671) is (1-ethylpyrazol-4-yl)-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (1-ethylpyrazol-4-yl)-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (1-ethylpyrazol-4-yl)-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone is CCn1cc(C(=O)N2CCCC2CC(C)O)cn1.
What is the InChIKey of (1-ethylpyrazol-4-yl)-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone?
The InChIKey is IGYTZQYFCGUNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-15-9-11(8-14-15)13(18)16-6-4-5-12(16)7-10(2)17/h8-10,12,17H,3-7H2,1-2H3.
What are the key properties of (1-ethylpyrazol-4-yl)-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone?
(1-ethylpyrazol-4-yl)-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone has a molecular weight of 251.33 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrazol-4-yl)-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 75431671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).