1-(2-methoxyethyl)-4-(2-methylbutan-2-yl)pyrazole

C11H20N2O — CID 145022478

IUPAC1-(2-methoxyethyl)-4-(2-methylbutan-2-yl)pyrazole
SMILESCCC(C)(C)c1cnn(CCOC)c1
InChIInChI=1S/C11H20N2O/c1-5-11(2,3)10-8-12-13(9-10)6-7-14-4/h8-9H,5-7H2,1-4H3
InChIKeyMNSUAMGRCRVLJV-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.22
Rot. Bonds5

About 1-(2-methoxyethyl)-4-(2-methylbutan-2-yl)pyrazole

1-(2-methoxyethyl)-4-(2-methylbutan-2-yl)pyrazole (PubChem CID 145022478) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-4-(2-methylbutan-2-yl)pyrazole.

Molecular Properties

Compound Name1-(2-methoxyethyl)-4-(2-methylbutan-2-yl)pyrazole
PubChem CID145022478
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1-(2-methoxyethyl)-4-(2-methylbutan-2-yl)pyrazole
SMILESCCC(C)(C)c1cnn(CCOC)c1
InChIInChI=1S/C11H20N2O/c1-5-11(2,3)10-8-12-13(9-10)6-7-14-4/h8-9H,5-7H2,1-4H3
InChIKeyMNSUAMGRCRVLJV-UHFFFAOYSA-N
XLogP2.22
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(2-methoxyethyl)pyrazol-4-amine
CID 43729152
1-(cyclopropylmethyl)-4-(2-methylbutan-2-yl)pyrazole
CID 155261599
4-bromo-1-(2-methoxyethyl)pyrazole
CID 23247855
1-(2-methoxyethyl)pyrazol-4-ol
CID 75466201
[1-(2-methoxyethyl)pyrazol-4-yl]methanethiol
CID 155403637
2-[4-[1-(2-methoxyethyl)pyrazol-4-yl]pyrazol-1-yl]ethanol
CID 172649303
4-cyclopropyl-1-(2-methoxyethyl)pyrazole
CID 170573805
1-(2-methoxyethyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazol-4-amine
CID 43728958
2-(1-ethylpyrazol-4-yl)-2-methylpropan-1-amine
CID 81020936
4-(4-bromo-2-methylpentan-2-yl)-1-propylpyrazole
CID 64716215
acetaldehyde;1-(2-methoxyethyl)-4-methylpyrazole
CID 144516291
1-ethyl-3-[1-(2-methoxyethyl)pyrazol-4-yl]thiourea
CID 115590262

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-4-(2-methylbutan-2-yl)pyrazole?
The IUPAC name of 1-(2-methoxyethyl)-4-(2-methylbutan-2-yl)pyrazole (CID 145022478) is 1-(2-methoxyethyl)-4-(2-methylbutan-2-yl)pyrazole.
What is the SMILES notation for 1-(2-methoxyethyl)-4-(2-methylbutan-2-yl)pyrazole?
The canonical SMILES for 1-(2-methoxyethyl)-4-(2-methylbutan-2-yl)pyrazole is CCC(C)(C)c1cnn(CCOC)c1.
What is the InChIKey of 1-(2-methoxyethyl)-4-(2-methylbutan-2-yl)pyrazole?
The InChIKey is MNSUAMGRCRVLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-5-11(2,3)10-8-12-13(9-10)6-7-14-4/h8-9H,5-7H2,1-4H3.
What are the key properties of 1-(2-methoxyethyl)-4-(2-methylbutan-2-yl)pyrazole?
1-(2-methoxyethyl)-4-(2-methylbutan-2-yl)pyrazole has a molecular weight of 196.29 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-4-(2-methylbutan-2-yl)pyrazole is sourced from PubChem (CID 145022478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).