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

C9H16N2O — CID 3253320

IUPAC4-(2-ethoxyethyl)-3,5-dimethyl-1H-pyrazole
SMILESCCOCCc1c(C)n[nH]c1C
InChIInChI=1S/C9H16N2O/c1-4-12-6-5-9-7(2)10-11-8(9)3/h4-6H2,1-3H3,(H,10,11)
InChIKeyLVUQNFJYWZRBHM-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.61
Rot. Bonds4

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

4-(2-ethoxyethyl)-3,5-dimethyl-1H-pyrazole (PubChem CID 3253320) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 4-(2-ethoxyethyl)-3,5-dimethyl-1H-pyrazole.

Molecular Properties

Compound Name4-(2-ethoxyethyl)-3,5-dimethyl-1H-pyrazole
PubChem CID3253320
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name4-(2-ethoxyethyl)-3,5-dimethyl-1H-pyrazole
SMILESCCOCCc1c(C)n[nH]c1C
InChIInChI=1S/C9H16N2O/c1-4-12-6-5-9-7(2)10-11-8(9)3/h4-6H2,1-3H3,(H,10,11)
InChIKeyLVUQNFJYWZRBHM-UHFFFAOYSA-N
XLogP1.61
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyethyl)-3,5-dimethyl-1H-pyrazole?
The IUPAC name of 4-(2-ethoxyethyl)-3,5-dimethyl-1H-pyrazole (CID 3253320) is 4-(2-ethoxyethyl)-3,5-dimethyl-1H-pyrazole.
What is the SMILES notation for 4-(2-ethoxyethyl)-3,5-dimethyl-1H-pyrazole?
The canonical SMILES for 4-(2-ethoxyethyl)-3,5-dimethyl-1H-pyrazole is CCOCCc1c(C)n[nH]c1C.
What is the InChIKey of 4-(2-ethoxyethyl)-3,5-dimethyl-1H-pyrazole?
The InChIKey is LVUQNFJYWZRBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-4-12-6-5-9-7(2)10-11-8(9)3/h4-6H2,1-3H3,(H,10,11).
What are the key properties of 4-(2-ethoxyethyl)-3,5-dimethyl-1H-pyrazole?
4-(2-ethoxyethyl)-3,5-dimethyl-1H-pyrazole has a molecular weight of 168.24 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyethyl)-3,5-dimethyl-1H-pyrazole is sourced from PubChem (CID 3253320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).