7-(1-methylpyrazol-3-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol

C12H19N3O — CID 103130263

IUPAC7-(1-methylpyrazol-3-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol
SMILESCn1ccc(C2(O)CCN3CCCC3C2)n1
InChIInChI=1S/C12H19N3O/c1-14-7-4-11(13-14)12(16)5-8-15-6-2-3-10(15)9-12/h4,7,10,16H,2-3,5-6,8-9H2,1H3
InChIKeyGXTMUWVFGHAZHA-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.87
Rot. Bonds1

About 7-(1-methylpyrazol-3-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol

7-(1-methylpyrazol-3-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol (PubChem CID 103130263) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 7-(1-methylpyrazol-3-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol.

Molecular Properties

Compound Name7-(1-methylpyrazol-3-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol
PubChem CID103130263
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name7-(1-methylpyrazol-3-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol
SMILESCn1ccc(C2(O)CCN3CCCC3C2)n1
InChIInChI=1S/C12H19N3O/c1-14-7-4-11(13-14)12(16)5-8-15-6-2-3-10(15)9-12/h4,7,10,16H,2-3,5-6,8-9H2,1H3
InChIKeyGXTMUWVFGHAZHA-UHFFFAOYSA-N
XLogP0.87
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-(1-methylpyrazol-3-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol with MolForge

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Related Compounds

4-(methylamino)-1-(1-methylpyrazol-3-yl)cyclohexan-1-ol
CID 103132259
2-(2,6-dimethylphenyl)-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-ol
CID 165347131
7-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol
CID 106971642
7-(4-bromo-1,3-thiazol-2-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol
CID 114684411
2-methyl-1-(1-methylpyrazol-3-yl)cyclopropan-1-ol
CID 103122302
2,2-dimethyl-1-(1-methylpyrazol-3-yl)cyclobutan-1-ol
CID 130554961
ethane;7-(3-methyl-1H-indol-5-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol
CID 91314035
7-(3-phenyltriazol-4-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol
CID 114685294
7-(1-methylpyrazol-3-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171951809
(2R,9aS)-2-(3-chlorophenyl)-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-ol
CID 129396439
2,4,4-trimethyl-1-(1-methylpyrazol-3-yl)cyclohexan-1-ol
CID 103130256
8-(1-methylpyrazol-3-yl)tricyclo[5.2.1.02,6]decan-8-ol
CID 103130067

Frequently Asked Questions

What is the IUPAC name of 7-(1-methylpyrazol-3-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol?
The IUPAC name of 7-(1-methylpyrazol-3-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol (CID 103130263) is 7-(1-methylpyrazol-3-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol.
What is the SMILES notation for 7-(1-methylpyrazol-3-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol?
The canonical SMILES for 7-(1-methylpyrazol-3-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol is Cn1ccc(C2(O)CCN3CCCC3C2)n1.
What is the InChIKey of 7-(1-methylpyrazol-3-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol?
The InChIKey is GXTMUWVFGHAZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-14-7-4-11(13-14)12(16)5-8-15-6-2-3-10(15)9-12/h4,7,10,16H,2-3,5-6,8-9H2,1H3.
What are the key properties of 7-(1-methylpyrazol-3-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol?
7-(1-methylpyrazol-3-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol has a molecular weight of 221.30 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-methylpyrazol-3-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol is sourced from PubChem (CID 103130263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).