ethane;3-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole

C10H18N2O — CID 169144253

IUPACethane;3-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
SMILESCC.CCc1n[nH]c2c1COCC2
InChIInChI=1S/C8H12N2O.C2H6/c1-2-7-6-5-11-4-3-8(6)10-9-7;1-2/h2-5H2,1H3,(H,9,10);1-2H3
InChIKeyUMZPRFQFHOLDED-UHFFFAOYSA-N
MW182.27 g/mol
LogP2.07
Rot. Bonds1

About ethane;3-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole

ethane;3-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole (PubChem CID 169144253) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is ethane;3-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole.

Molecular Properties

Compound Nameethane;3-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
PubChem CID169144253
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Nameethane;3-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
SMILESCC.CCc1n[nH]c2c1COCC2
InChIInChI=1S/C8H12N2O.C2H6/c1-2-7-6-5-11-4-3-8(6)10-9-7;1-2/h2-5H2,1H3,(H,9,10);1-2H3
InChIKeyUMZPRFQFHOLDED-UHFFFAOYSA-N
XLogP2.07
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(trifluoromethyl)-1H,4H,6H,7H-pyrano(4,3-c)pyrazole
CID 50992796
2H,4H,6H,7H-pyrano(4,3-c)pyrazol-3-amine
CID 54593193
2,2-difluoro-2-{1H,4H,6H,7H-pyrano[4,3-c]pyrazol-3-yl}ethan-1-amine
CID 119031460
3-(chloromethyl)-1H,4H,6H,7H-pyrano(4,3-c)pyrazole hydrochloride
CID 132344215
3-{2H,4H,6H,7H-pyrano[4,3-c]pyrazol-3-yl}piperidine dihydrochloride
CID 146155326
3-iodo-6,6-dimethyl-2H,4H,6H,7H-pyrano[4,3-c]pyrazole
CID 170910133
3-(Pyrrolidin-1-ylmethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
CID 137957287
3-[Difluoro(iodo)methyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
CID 71101167
3-(Difluoromethyl)-2,4,6,7-tetrahydropyrano[4,3-C]pyrazole
CID 130133316
3-Iodo-1,4,6,7-tetrahydropyrano[4,3-C]pyrazole
CID 131598257
4-Fluoro-3-propan-2-yl-1,4,5,7-tetrahydropyrano[3,4-c]pyrazole
CID 171531501
3-(chloromethyl)-1H,4H,6H,7H-pyrano[4,3-c]pyrazole
CID 121215428

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole?
The IUPAC name of ethane;3-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole (CID 169144253) is ethane;3-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole.
What is the SMILES notation for ethane;3-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole?
The canonical SMILES for ethane;3-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole is CC.CCc1n[nH]c2c1COCC2.
What is the InChIKey of ethane;3-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole?
The InChIKey is UMZPRFQFHOLDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O.C2H6/c1-2-7-6-5-11-4-3-8(6)10-9-7;1-2/h2-5H2,1H3,(H,9,10);1-2H3.
What are the key properties of ethane;3-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole?
ethane;3-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole has a molecular weight of 182.27 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole is sourced from PubChem (CID 169144253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).