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

C13H21N3O2 — CID 55076306

IUPAC(1,5-dimethylpyrazol-4-yl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
SMILESCc1c(C(=O)N2CCCC2CCCO)cnn1C
InChIInChI=1S/C13H21N3O2/c1-10-12(9-14-15(10)2)13(18)16-7-3-5-11(16)6-4-8-17/h9,11,17H,3-8H2,1-2H3
InChIKeyBWNFTXYVEBGJPM-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.11
Rot. Bonds4

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

(1,5-dimethylpyrazol-4-yl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone (PubChem CID 55076306) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is (1,5-dimethylpyrazol-4-yl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1,5-dimethylpyrazol-4-yl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
PubChem CID55076306
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name(1,5-dimethylpyrazol-4-yl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
SMILESCc1c(C(=O)N2CCCC2CCCO)cnn1C
InChIInChI=1S/C13H21N3O2/c1-10-12(9-14-15(10)2)13(18)16-7-3-5-11(16)6-4-8-17/h9,11,17H,3-8H2,1-2H3
InChIKeyBWNFTXYVEBGJPM-UHFFFAOYSA-N
XLogP1.11
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 ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(chloromethyl)piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone
CID 55188355
(1,5-dimethylpyrazol-4-yl)-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 79547117
1-[1-(1,5-dimethylpyrazole-4-carbonyl)azepan-2-yl]propan-2-one
CID 79553133
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 62466811
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone
CID 66335558
(3-hydroxy-2-methylphenyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 82828961
(1,5-dimethylpyrrol-2-yl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 62468058
[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone
CID 95357635
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 62468426
(1,5-dimethylpyrazol-4-yl)-[2-[(2-methyl-3-pyridinyl)oxymethyl]pyrrolidin-1-yl]methanone
CID 136548080
(3-amino-2-methylphenyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 55076498
3-amino-N-[[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide
CID 120580035

Frequently Asked Questions

What is the IUPAC name of (1,5-dimethylpyrazol-4-yl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (1,5-dimethylpyrazol-4-yl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone (CID 55076306) is (1,5-dimethylpyrazol-4-yl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (1,5-dimethylpyrazol-4-yl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (1,5-dimethylpyrazol-4-yl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone is Cc1c(C(=O)N2CCCC2CCCO)cnn1C.
What is the InChIKey of (1,5-dimethylpyrazol-4-yl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone?
The InChIKey is BWNFTXYVEBGJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-10-12(9-14-15(10)2)13(18)16-7-3-5-11(16)6-4-8-17/h9,11,17H,3-8H2,1-2H3.
What are the key properties of (1,5-dimethylpyrazol-4-yl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone?
(1,5-dimethylpyrazol-4-yl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone has a molecular weight of 251.33 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethylpyrazol-4-yl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 55076306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).