1-benzyl-4-tert-butyl-3-ethylpyrazole

C16H22N2 — CID 20664182

IUPAC1-benzyl-4-tert-butyl-3-ethylpyrazole
SMILESCCc1nn(Cc2ccccc2)cc1C(C)(C)C
InChIInChI=1S/C16H22N2/c1-5-15-14(16(2,3)4)12-18(17-15)11-13-9-7-6-8-10-13/h6-10,12H,5,11H2,1-4H3
InChIKeyCMAYGAROQCUKOT-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.79
Rot. Bonds3

About 1-benzyl-4-tert-butyl-3-ethylpyrazole

1-benzyl-4-tert-butyl-3-ethylpyrazole (PubChem CID 20664182) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 1-benzyl-4-tert-butyl-3-ethylpyrazole.

Molecular Properties

Compound Name1-benzyl-4-tert-butyl-3-ethylpyrazole
PubChem CID20664182
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name1-benzyl-4-tert-butyl-3-ethylpyrazole
SMILESCCc1nn(Cc2ccccc2)cc1C(C)(C)C
InChIInChI=1S/C16H22N2/c1-5-15-14(16(2,3)4)12-18(17-15)11-13-9-7-6-8-10-13/h6-10,12H,5,11H2,1-4H3
InChIKeyCMAYGAROQCUKOT-UHFFFAOYSA-N
XLogP3.79
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-dibenzylpyrazole-4-carbaldehyde
CID 139675019
1-benzyl-3-(chloromethyl)pyrazole-4-carbaldehyde
CID 139675183
1-benzyl-3-tert-butyl-N-propylpyrazole-4-sulfonamide
CID 42284354
1-benzyl-4-[1-[(4-tert-butylphenyl)methyl]pyrazol-4-yl]pyrazole
CID 47012747
1-benzyl-N,N-dibutyl-3-tert-butylpyrazole-4-sulfonamide
CID 42284277
1-[(1-benzyl-3-tert-butylpyrazol-4-yl)methyl]azetidine-3-carboxylic acid
CID 122046896
2-benzylindazole
CID 5045916
1-benzyl-3-(hydroxymethyl)pyrazole-4-carbonitrile
CID 54567459
3-benzyl-5-ethylimidazol-4-amine
CID 58192367
ethyl 1-benzyl-3-(2-oxoethyl)pyrazole-4-carboxylate
CID 135308878
1-benzyl-3-methyl-4-[(1Z,3Z)-penta-1,3-dienyl]pyrazole
CID 143458986
4-[(3-ethyl-4-methylpyrazol-1-yl)methyl]benzonitrile
CID 130266947

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-tert-butyl-3-ethylpyrazole?
The IUPAC name of 1-benzyl-4-tert-butyl-3-ethylpyrazole (CID 20664182) is 1-benzyl-4-tert-butyl-3-ethylpyrazole.
What is the SMILES notation for 1-benzyl-4-tert-butyl-3-ethylpyrazole?
The canonical SMILES for 1-benzyl-4-tert-butyl-3-ethylpyrazole is CCc1nn(Cc2ccccc2)cc1C(C)(C)C.
What is the InChIKey of 1-benzyl-4-tert-butyl-3-ethylpyrazole?
The InChIKey is CMAYGAROQCUKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-5-15-14(16(2,3)4)12-18(17-15)11-13-9-7-6-8-10-13/h6-10,12H,5,11H2,1-4H3.
What are the key properties of 1-benzyl-4-tert-butyl-3-ethylpyrazole?
1-benzyl-4-tert-butyl-3-ethylpyrazole has a molecular weight of 242.37 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-tert-butyl-3-ethylpyrazole is sourced from PubChem (CID 20664182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).