4-(2-methoxyethyl)-3,5-dimethyl-1H-pyrazole

C8H14N2O — CID 3253096

IUPAC4-(2-methoxyethyl)-3,5-dimethyl-1H-pyrazole
SMILESCOCCc1c(C)n[nH]c1C
InChIInChI=1S/C8H14N2O/c1-6-8(4-5-11-3)7(2)10-9-6/h4-5H2,1-3H3,(H,9,10)
InChIKeyHKXRIKCCQBEKDA-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.22
Rot. Bonds3

About 4-(2-methoxyethyl)-3,5-dimethyl-1H-pyrazole

4-(2-methoxyethyl)-3,5-dimethyl-1H-pyrazole (PubChem CID 3253096) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 4-(2-methoxyethyl)-3,5-dimethyl-1H-pyrazole.

Molecular Properties

Compound Name4-(2-methoxyethyl)-3,5-dimethyl-1H-pyrazole
PubChem CID3253096
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name4-(2-methoxyethyl)-3,5-dimethyl-1H-pyrazole
SMILESCOCCc1c(C)n[nH]c1C
InChIInChI=1S/C8H14N2O/c1-6-8(4-5-11-3)7(2)10-9-6/h4-5H2,1-3H3,(H,9,10)
InChIKeyHKXRIKCCQBEKDA-UHFFFAOYSA-N
XLogP1.22
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethyl)-3,5-dimethyl-1H-pyrazole?
The IUPAC name of 4-(2-methoxyethyl)-3,5-dimethyl-1H-pyrazole (CID 3253096) is 4-(2-methoxyethyl)-3,5-dimethyl-1H-pyrazole.
What is the SMILES notation for 4-(2-methoxyethyl)-3,5-dimethyl-1H-pyrazole?
The canonical SMILES for 4-(2-methoxyethyl)-3,5-dimethyl-1H-pyrazole is COCCc1c(C)n[nH]c1C.
What is the InChIKey of 4-(2-methoxyethyl)-3,5-dimethyl-1H-pyrazole?
The InChIKey is HKXRIKCCQBEKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-6-8(4-5-11-3)7(2)10-9-6/h4-5H2,1-3H3,(H,9,10).
What are the key properties of 4-(2-methoxyethyl)-3,5-dimethyl-1H-pyrazole?
4-(2-methoxyethyl)-3,5-dimethyl-1H-pyrazole has a molecular weight of 154.21 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)-3,5-dimethyl-1H-pyrazole is sourced from PubChem (CID 3253096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).