ethane;5-(2-methoxyethyl)-1H-pyrazole

C8H16N2O — CID 170603937

IUPACethane;5-(2-methoxyethyl)-1H-pyrazole
SMILESCC.COCCc1ccn[nH]1
InChIInChI=1S/C6H10N2O.C2H6/c1-9-5-3-6-2-4-7-8-6;1-2/h2,4H,3,5H2,1H3,(H,7,8);1-2H3
InChIKeyFQBLNJHGZHJUGO-UHFFFAOYSA-N
MW156.23 g/mol
LogP1.62
Rot. Bonds3

About ethane;5-(2-methoxyethyl)-1H-pyrazole

ethane;5-(2-methoxyethyl)-1H-pyrazole (PubChem CID 170603937) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is ethane;5-(2-methoxyethyl)-1H-pyrazole.

Molecular Properties

Compound Nameethane;5-(2-methoxyethyl)-1H-pyrazole
PubChem CID170603937
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Nameethane;5-(2-methoxyethyl)-1H-pyrazole
SMILESCC.COCCc1ccn[nH]1
InChIInChI=1S/C6H10N2O.C2H6/c1-9-5-3-6-2-4-7-8-6;1-2/h2,4H,3,5H2,1H3,(H,7,8);1-2H3
InChIKeyFQBLNJHGZHJUGO-UHFFFAOYSA-N
XLogP1.62
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methoxyethoxy)-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 61284127
5-(2-bromoethyl)-1H-pyrazole
CID 565479
5-[3-[3-(1H-pyrazol-5-yl)propoxy]propyl]-1H-pyrazole
CID 175090190
1-methoxy-3-(1H-pyrazol-5-yl)propan-2-ol
CID 21265785
2-(1H-pyrazol-5-yl)ethanethiol
CID 90977804
2-(1H-pyrazol-5-yl)ethyl 4-methylbenzenesulfonate
CID 139915720
5-hexyl-1H-pyrazole;hydrobromide
CID 174992148
5-(2-methylsulfinylethyl)-1H-pyrazole
CID 137377880
1-(2-methoxyethoxy)-N-(1H-pyrazol-5-ylmethyl)propan-2-amine
CID 115655367
3-(2-methoxyethyl)-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole
CID 94069261
N'-(3-methoxypropyl)-N'-methyl-N-(1H-pyrazol-5-ylmethyl)ethane-1,2-diamine
CID 115655056
methyl 2-(1H-pyrazol-5-yl)acetate
CID 50989154

Frequently Asked Questions

What is the IUPAC name of ethane;5-(2-methoxyethyl)-1H-pyrazole?
The IUPAC name of ethane;5-(2-methoxyethyl)-1H-pyrazole (CID 170603937) is ethane;5-(2-methoxyethyl)-1H-pyrazole.
What is the SMILES notation for ethane;5-(2-methoxyethyl)-1H-pyrazole?
The canonical SMILES for ethane;5-(2-methoxyethyl)-1H-pyrazole is CC.COCCc1ccn[nH]1.
What is the InChIKey of ethane;5-(2-methoxyethyl)-1H-pyrazole?
The InChIKey is FQBLNJHGZHJUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O.C2H6/c1-9-5-3-6-2-4-7-8-6;1-2/h2,4H,3,5H2,1H3,(H,7,8);1-2H3.
What are the key properties of ethane;5-(2-methoxyethyl)-1H-pyrazole?
ethane;5-(2-methoxyethyl)-1H-pyrazole has a molecular weight of 156.23 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-(2-methoxyethyl)-1H-pyrazole is sourced from PubChem (CID 170603937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).