ethane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;1-methylpyrazole

C14H27N3O — CID 164922014

IUPACethane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;1-methylpyrazole
SMILESCC.Cn1cccn1.OCC12CCCN1CCC2
InChIInChI=1S/C8H15NO.C4H6N2.C2H6/c10-7-8-3-1-5-9(8)6-2-4-8;1-6-4-2-3-5-6;1-2/h10H,1-7H2;2-4H,1H3;1-2H3
InChIKeyKUUGWNMPILIUKO-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.05
Rot. Bonds1

About ethane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;1-methylpyrazole

ethane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;1-methylpyrazole (PubChem CID 164922014) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is ethane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;1-methylpyrazole.

Molecular Properties

Compound Nameethane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;1-methylpyrazole
PubChem CID164922014
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Nameethane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;1-methylpyrazole
SMILESCC.Cn1cccn1.OCC12CCCN1CCC2
InChIInChI=1S/C8H15NO.C4H6N2.C2H6/c10-7-8-3-1-5-9(8)6-2-4-8;1-6-4-2-3-5-6;1-2/h10H,1-7H2;2-4H,1H3;1-2H3
InChIKeyKUUGWNMPILIUKO-UHFFFAOYSA-N
XLogP2.05
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-Pyrazol-1-ylcyclopentyl)methanol
CID 91806269
1,2,3,5,6,7-Hexahydropyrrolizin-8-ylmethanol;1-methylpyrazole
CID 164922191
(1,2-Diethylpyrrolidin-2-yl)methanol;1-methylpyrazole
CID 164922492
(3R,8R)-8-(propan-2-yloxymethyl)-3-(pyrazol-1-ylmethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 167196329
[1-(2-Pyrazol-1-ylethyl)pyrrolidin-2-yl]methanol
CID 62014375
[(2R)-1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]methanol
CID 62734975
2-Amino-2-methyl-5-(1h-pyrazol-1-yl)pentan-1-ol
CID 64811104
[3-Methyl-1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]methanol
CID 102788013
2-Ethyl-2-(ethylamino)-5-pyrazol-1-ylpentan-1-ol
CID 106810035
2-Ethyl-2-(methylamino)-5-pyrazol-1-ylpentan-1-ol
CID 106810036
2-Ethyl-2-(propylamino)-5-pyrazol-1-ylpentan-1-ol
CID 106810037
2-Amino-2-ethyl-5-pyrazol-1-ylpentan-1-ol
CID 106810038

Frequently Asked Questions

What is the IUPAC name of ethane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;1-methylpyrazole?
The IUPAC name of ethane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;1-methylpyrazole (CID 164922014) is ethane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;1-methylpyrazole.
What is the SMILES notation for ethane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;1-methylpyrazole?
The canonical SMILES for ethane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;1-methylpyrazole is CC.Cn1cccn1.OCC12CCCN1CCC2.
What is the InChIKey of ethane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;1-methylpyrazole?
The InChIKey is KUUGWNMPILIUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.C4H6N2.C2H6/c10-7-8-3-1-5-9(8)6-2-4-8;1-6-4-2-3-5-6;1-2/h10H,1-7H2;2-4H,1H3;1-2H3.
What are the key properties of ethane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;1-methylpyrazole?
ethane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;1-methylpyrazole has a molecular weight of 253.39 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;1-methylpyrazole is sourced from PubChem (CID 164922014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).