[1-(4-tert-butylphenyl)-3,5-dimethylpyrazol-4-yl]methanol

C16H22N2O — CID 39359841

IUPAC[1-(4-tert-butylphenyl)-3,5-dimethylpyrazol-4-yl]methanol
SMILESCc1nn(-c2ccc(C(C)(C)C)cc2)c(C)c1CO
InChIInChI=1S/C16H22N2O/c1-11-15(10-19)12(2)18(17-11)14-8-6-13(7-9-14)16(3,4)5/h6-9,19H,10H2,1-5H3
InChIKeyKJAMESSEDRJQJZ-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.28
Rot. Bonds2

About [1-(4-tert-butylphenyl)-3,5-dimethylpyrazol-4-yl]methanol

[1-(4-tert-butylphenyl)-3,5-dimethylpyrazol-4-yl]methanol (PubChem CID 39359841) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is [1-(4-tert-butylphenyl)-3,5-dimethylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(4-tert-butylphenyl)-3,5-dimethylpyrazol-4-yl]methanol
PubChem CID39359841
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name[1-(4-tert-butylphenyl)-3,5-dimethylpyrazol-4-yl]methanol
SMILESCc1nn(-c2ccc(C(C)(C)C)cc2)c(C)c1CO
InChIInChI=1S/C16H22N2O/c1-11-15(10-19)12(2)18(17-11)14-8-6-13(7-9-14)16(3,4)5/h6-9,19H,10H2,1-5H3
InChIKeyKJAMESSEDRJQJZ-UHFFFAOYSA-N
XLogP3.28
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-dimethyl-1-phenylpyrazol-4-yl)methanol
CID 2526674
1-[1-(4-tert-butylphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 84760351
[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol
CID 39369333
[1-(1,3-benzodioxol-5-yl)-3,5-dimethylpyrazol-4-yl]methanol
CID 39349138
1-(4-chlorophenyl)-4-ethyl-3,5-dimethylpyrazole
CID 50888250
(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methanol
CID 55255170
2-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]ethanethiol
CID 143475775
4-[2-hydroperoxy-2,2-bis(4-methylphenyl)ethyl]-3,5-dimethyl-1-phenylpyrazole
CID 10693025
4-tert-butyl-N-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-1-oxopropan-2-yl]benzamide
CID 55371596
4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]phenol
CID 1478286
4-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzaldehyde
CID 61238841
2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]ethanol
CID 43406566

Frequently Asked Questions

What is the IUPAC name of [1-(4-tert-butylphenyl)-3,5-dimethylpyrazol-4-yl]methanol?
The IUPAC name of [1-(4-tert-butylphenyl)-3,5-dimethylpyrazol-4-yl]methanol (CID 39359841) is [1-(4-tert-butylphenyl)-3,5-dimethylpyrazol-4-yl]methanol.
What is the SMILES notation for [1-(4-tert-butylphenyl)-3,5-dimethylpyrazol-4-yl]methanol?
The canonical SMILES for [1-(4-tert-butylphenyl)-3,5-dimethylpyrazol-4-yl]methanol is Cc1nn(-c2ccc(C(C)(C)C)cc2)c(C)c1CO.
What is the InChIKey of [1-(4-tert-butylphenyl)-3,5-dimethylpyrazol-4-yl]methanol?
The InChIKey is KJAMESSEDRJQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-11-15(10-19)12(2)18(17-11)14-8-6-13(7-9-14)16(3,4)5/h6-9,19H,10H2,1-5H3.
What are the key properties of [1-(4-tert-butylphenyl)-3,5-dimethylpyrazol-4-yl]methanol?
[1-(4-tert-butylphenyl)-3,5-dimethylpyrazol-4-yl]methanol has a molecular weight of 258.36 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-tert-butylphenyl)-3,5-dimethylpyrazol-4-yl]methanol is sourced from PubChem (CID 39359841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).