1-(1-ethylpyrazol-4-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol

C12H19N3O — CID 82856639

IUPAC1-(1-ethylpyrazol-4-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
SMILESCCn1cc(C2(O)CCN3CCCC32)cn1
InChIInChI=1S/C12H19N3O/c1-2-15-9-10(8-13-15)12(16)5-7-14-6-3-4-11(12)14/h8-9,11,16H,2-7H2,1H3
InChIKeyWVJZOFNNVRCXNX-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.96
Rot. Bonds2

About 1-(1-ethylpyrazol-4-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol

1-(1-ethylpyrazol-4-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol (PubChem CID 82856639) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
PubChem CID82856639
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-(1-ethylpyrazol-4-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
SMILESCCn1cc(C2(O)CCN3CCCC32)cn1
InChIInChI=1S/C12H19N3O/c1-2-15-9-10(8-13-15)12(16)5-7-14-6-3-4-11(12)14/h8-9,11,16H,2-7H2,1H3
InChIKeyWVJZOFNNVRCXNX-UHFFFAOYSA-N
XLogP0.96
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol (CID 82856639) is 1-(1-ethylpyrazol-4-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol is CCn1cc(C2(O)CCN3CCCC32)cn1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol?
The InChIKey is WVJZOFNNVRCXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-2-15-9-10(8-13-15)12(16)5-7-14-6-3-4-11(12)14/h8-9,11,16H,2-7H2,1H3.
What are the key properties of 1-(1-ethylpyrazol-4-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol?
1-(1-ethylpyrazol-4-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol has a molecular weight of 221.30 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol is sourced from PubChem (CID 82856639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).