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

C16H22N2O — CID 83092098

IUPAC(4-tert-butylphenyl)-(1,3-dimethylpyrazol-4-yl)methanol
SMILESCc1nn(C)cc1C(O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H22N2O/c1-11-14(10-18(5)17-11)15(19)12-6-8-13(9-7-12)16(2,3)4/h6-10,15,19H,1-5H3
InChIKeyVIVRXDIZIQZIAK-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.11
Rot. Bonds2

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

(4-tert-butylphenyl)-(1,3-dimethylpyrazol-4-yl)methanol (PubChem CID 83092098) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is (4-tert-butylphenyl)-(1,3-dimethylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(4-tert-butylphenyl)-(1,3-dimethylpyrazol-4-yl)methanol
PubChem CID83092098
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name(4-tert-butylphenyl)-(1,3-dimethylpyrazol-4-yl)methanol
SMILESCc1nn(C)cc1C(O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H22N2O/c1-11-14(10-18(5)17-11)15(19)12-6-8-13(9-7-12)16(2,3)4/h6-10,15,19H,1-5H3
InChIKeyVIVRXDIZIQZIAK-UHFFFAOYSA-N
XLogP3.11
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1,3-dimethylpyrazol-4-yl)-(4-methylphenyl)methanol
CID 83090741
(3-tert-butyl-1-methylpyrazol-4-yl)-phenylmethanol
CID 83090018
2,3-dihydro-1-benzofuran-5-yl-(1,3-dimethylpyrazol-4-yl)methanol
CID 113425039
(1,3-dimethylpyrazol-4-yl)-[3-(trifluoromethoxy)phenyl]methanol
CID 83090224
(1,3-dimethylpyrazol-4-yl)-(furan-2-yl)methanol
CID 83090044
(1,3-dimethylpyrazol-4-yl)-(1-propylpyrazol-4-yl)methanol
CID 83091487
(1,3-dimethylpyrazol-4-yl)-(3-propan-2-yloxyphenyl)methanol
CID 83091659
(1,3-dimethylpyrazol-4-yl)-(3-propylphenyl)methanol
CID 116542830
1-(1,3-dimethylpyrazol-4-yl)-2-methylpropan-1-ol
CID 83090041
3-(1,3-dimethylpyrazol-4-yl)butan-2-ol
CID 66436534
(1S)-1-(1,3-dimethylpyrazol-4-yl)-2,2-difluoroethanol
CID 95567318
(1R)-2-amino-1-(1,3-dimethylpyrazol-4-yl)ethanol
CID 83000950

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-(1,3-dimethylpyrazol-4-yl)methanol?
The IUPAC name of (4-tert-butylphenyl)-(1,3-dimethylpyrazol-4-yl)methanol (CID 83092098) is (4-tert-butylphenyl)-(1,3-dimethylpyrazol-4-yl)methanol.
What is the SMILES notation for (4-tert-butylphenyl)-(1,3-dimethylpyrazol-4-yl)methanol?
The canonical SMILES for (4-tert-butylphenyl)-(1,3-dimethylpyrazol-4-yl)methanol is Cc1nn(C)cc1C(O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of (4-tert-butylphenyl)-(1,3-dimethylpyrazol-4-yl)methanol?
The InChIKey is VIVRXDIZIQZIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-11-14(10-18(5)17-11)15(19)12-6-8-13(9-7-12)16(2,3)4/h6-10,15,19H,1-5H3.
What are the key properties of (4-tert-butylphenyl)-(1,3-dimethylpyrazol-4-yl)methanol?
(4-tert-butylphenyl)-(1,3-dimethylpyrazol-4-yl)methanol has a molecular weight of 258.37 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-(1,3-dimethylpyrazol-4-yl)methanol is sourced from PubChem (CID 83092098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).