[1-tert-butyl-3-(3,4-dimethylphenyl)pyrazol-4-yl]methanol

C16H22N2O — CID 39095894

IUPAC[1-tert-butyl-3-(3,4-dimethylphenyl)pyrazol-4-yl]methanol
SMILESCc1ccc(-c2nn(C(C)(C)C)cc2CO)cc1C
InChIInChI=1S/C16H22N2O/c1-11-6-7-13(8-12(11)2)15-14(10-19)9-18(17-15)16(3,4)5/h6-9,19H,10H2,1-5H3
InChIKeyLKVVQRLUVDBHNJ-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.41
Rot. Bonds2

About [1-tert-butyl-3-(3,4-dimethylphenyl)pyrazol-4-yl]methanol

[1-tert-butyl-3-(3,4-dimethylphenyl)pyrazol-4-yl]methanol (PubChem CID 39095894) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is [1-tert-butyl-3-(3,4-dimethylphenyl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-tert-butyl-3-(3,4-dimethylphenyl)pyrazol-4-yl]methanol
PubChem CID39095894
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name[1-tert-butyl-3-(3,4-dimethylphenyl)pyrazol-4-yl]methanol
SMILESCc1ccc(-c2nn(C(C)(C)C)cc2CO)cc1C
InChIInChI=1S/C16H22N2O/c1-11-6-7-13(8-12(11)2)15-14(10-19)9-18(17-15)16(3,4)5/h6-9,19H,10H2,1-5H3
InChIKeyLKVVQRLUVDBHNJ-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-tert-butyl-3-(3,4-dichlorophenyl)pyrazol-4-yl]methanamine
CID 39095770
2-(1-tert-butyl-3-phenylpyrazol-4-yl)acetic acid
CID 39096056
1-[3-(3,4-dimethylphenyl)-1-methylpyrazol-4-yl]-N-methylmethanamine
CID 39096758
3-tert-butyl-5-(3,4-dimethylphenyl)imidazol-4-amine
CID 62018496
3-(3,4-dimethylphenyl)-1-methylpyrazole-4-carbothioamide
CID 39096372
[3-(4-chlorophenyl)-1-methylpyrazol-4-yl]methanol
CID 39095867
6-(3,4-dimethylphenyl)-4-(hydroxymethyl)-2-propylpyridazin-3-one
CID 82446684
[2-aminosulfanyl-5-[5-(3,4-dimethylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanol
CID 142025380
[1-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazol-4-yl]methanol
CID 39095863
1-tert-butyl-3-(3-methylphenyl)pyrazol-4-amine
CID 83222373
[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methanol
CID 883556
[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]methanol
CID 39095873

Frequently Asked Questions

What is the IUPAC name of [1-tert-butyl-3-(3,4-dimethylphenyl)pyrazol-4-yl]methanol?
The IUPAC name of [1-tert-butyl-3-(3,4-dimethylphenyl)pyrazol-4-yl]methanol (CID 39095894) is [1-tert-butyl-3-(3,4-dimethylphenyl)pyrazol-4-yl]methanol.
What is the SMILES notation for [1-tert-butyl-3-(3,4-dimethylphenyl)pyrazol-4-yl]methanol?
The canonical SMILES for [1-tert-butyl-3-(3,4-dimethylphenyl)pyrazol-4-yl]methanol is Cc1ccc(-c2nn(C(C)(C)C)cc2CO)cc1C.
What is the InChIKey of [1-tert-butyl-3-(3,4-dimethylphenyl)pyrazol-4-yl]methanol?
The InChIKey is LKVVQRLUVDBHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-11-6-7-13(8-12(11)2)15-14(10-19)9-18(17-15)16(3,4)5/h6-9,19H,10H2,1-5H3.
What are the key properties of [1-tert-butyl-3-(3,4-dimethylphenyl)pyrazol-4-yl]methanol?
[1-tert-butyl-3-(3,4-dimethylphenyl)pyrazol-4-yl]methanol has a molecular weight of 258.36 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-tert-butyl-3-(3,4-dimethylphenyl)pyrazol-4-yl]methanol is sourced from PubChem (CID 39095894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).