4-tert-butyl-5-(2-methoxyethyl)-1H-pyrazole

C10H18N2O — CID 58477502

IUPAC4-tert-butyl-5-(2-methoxyethyl)-1H-pyrazole
SMILESCOCCc1[nH]ncc1C(C)(C)C
InChIInChI=1S/C10H18N2O/c1-10(2,3)8-7-11-12-9(8)5-6-13-4/h7H,5-6H2,1-4H3,(H,11,12)
InChIKeyXNGSTMVUBJOSRR-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.90
Rot. Bonds3

About 4-tert-butyl-5-(2-methoxyethyl)-1H-pyrazole

4-tert-butyl-5-(2-methoxyethyl)-1H-pyrazole (PubChem CID 58477502) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 4-tert-butyl-5-(2-methoxyethyl)-1H-pyrazole.

Molecular Properties

Compound Name4-tert-butyl-5-(2-methoxyethyl)-1H-pyrazole
PubChem CID58477502
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name4-tert-butyl-5-(2-methoxyethyl)-1H-pyrazole
SMILESCOCCc1[nH]ncc1C(C)(C)C
InChIInChI=1S/C10H18N2O/c1-10(2,3)8-7-11-12-9(8)5-6-13-4/h7H,5-6H2,1-4H3,(H,11,12)
InChIKeyXNGSTMVUBJOSRR-UHFFFAOYSA-N
XLogP1.90
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-(2-methoxyethyl)-1H-pyrazole?
The IUPAC name of 4-tert-butyl-5-(2-methoxyethyl)-1H-pyrazole (CID 58477502) is 4-tert-butyl-5-(2-methoxyethyl)-1H-pyrazole.
What is the SMILES notation for 4-tert-butyl-5-(2-methoxyethyl)-1H-pyrazole?
The canonical SMILES for 4-tert-butyl-5-(2-methoxyethyl)-1H-pyrazole is COCCc1[nH]ncc1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-5-(2-methoxyethyl)-1H-pyrazole?
The InChIKey is XNGSTMVUBJOSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-10(2,3)8-7-11-12-9(8)5-6-13-4/h7H,5-6H2,1-4H3,(H,11,12).
What are the key properties of 4-tert-butyl-5-(2-methoxyethyl)-1H-pyrazole?
4-tert-butyl-5-(2-methoxyethyl)-1H-pyrazole has a molecular weight of 182.27 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5-(2-methoxyethyl)-1H-pyrazole is sourced from PubChem (CID 58477502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).