1-(2-propylpyrazol-3-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol

C13H21N3O — CID 82857251

IUPAC1-(2-propylpyrazol-3-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
SMILESCCCn1nccc1C1(O)CCN2CCCC21
InChIInChI=1S/C13H21N3O/c1-2-8-16-12(5-7-14-16)13(17)6-10-15-9-3-4-11(13)15/h5,7,11,17H,2-4,6,8-10H2,1H3
InChIKeyYWXNSZHUYAXSLH-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.35
Rot. Bonds3

About 1-(2-propylpyrazol-3-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol

1-(2-propylpyrazol-3-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol (PubChem CID 82857251) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(2-propylpyrazol-3-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol.

Molecular Properties

Compound Name1-(2-propylpyrazol-3-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
PubChem CID82857251
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-(2-propylpyrazol-3-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
SMILESCCCn1nccc1C1(O)CCN2CCCC21
InChIInChI=1S/C13H21N3O/c1-2-8-16-12(5-7-14-16)13(17)6-10-15-9-3-4-11(13)15/h5,7,11,17H,2-4,6,8-10H2,1H3
InChIKeyYWXNSZHUYAXSLH-UHFFFAOYSA-N
XLogP1.35
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethylpyrazol-4-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
CID 82856639
1-(1-methylimidazol-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
CID 82856101
4-(2-propylpyrazol-3-yl)piperidin-4-ol
CID 63976094
1-(2-chlorophenyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
CID 82857001
1-(2-propoxyphenyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
CID 104658943
3-(2-propylpyrazol-3-yl)pyrrolidin-3-ol
CID 63975247
1-(2-propylpyrazol-3-yl)-3,4-dihydro-2H-naphthalen-1-ol
CID 63975663
1-(2-propylpyrazol-3-yl)-2,3-dihydroinden-1-ol
CID 63976085
1-isoquinolin-8-yl-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol
CID 103143064
1-(5-methoxy-3-pyridinyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
CID 82856775
1-(2-ethylpyrazol-3-yl)-2-phenylcyclohexan-1-ol
CID 63974813
1-propyl-5-(2-propylpyrrolidin-2-yl)pyrazole
CID 66467395

Frequently Asked Questions

What is the IUPAC name of 1-(2-propylpyrazol-3-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol?
The IUPAC name of 1-(2-propylpyrazol-3-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol (CID 82857251) is 1-(2-propylpyrazol-3-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol.
What is the SMILES notation for 1-(2-propylpyrazol-3-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol?
The canonical SMILES for 1-(2-propylpyrazol-3-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol is CCCn1nccc1C1(O)CCN2CCCC21.
What is the InChIKey of 1-(2-propylpyrazol-3-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol?
The InChIKey is YWXNSZHUYAXSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-2-8-16-12(5-7-14-16)13(17)6-10-15-9-3-4-11(13)15/h5,7,11,17H,2-4,6,8-10H2,1H3.
What are the key properties of 1-(2-propylpyrazol-3-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol?
1-(2-propylpyrazol-3-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol has a molecular weight of 235.33 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propylpyrazol-3-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol is sourced from PubChem (CID 82857251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).