[4-(3,5-ditert-butylpyrazol-1-yl)phenyl]methanol

C18H26N2O — CID 170871700

IUPAC[4-(3,5-ditert-butylpyrazol-1-yl)phenyl]methanol
SMILESCC(C)(C)c1cc(C(C)(C)C)n(-c2ccc(CO)cc2)n1
InChIInChI=1S/C18H26N2O/c1-17(2,3)15-11-16(18(4,5)6)20(19-15)14-9-7-13(12-21)8-10-14/h7-11,21H,12H2,1-6H3
InChIKeyHTPDHDUWAHNJED-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.96
Rot. Bonds2

About [4-(3,5-ditert-butylpyrazol-1-yl)phenyl]methanol

[4-(3,5-ditert-butylpyrazol-1-yl)phenyl]methanol (PubChem CID 170871700) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is [4-(3,5-ditert-butylpyrazol-1-yl)phenyl]methanol.

Molecular Properties

Compound Name[4-(3,5-ditert-butylpyrazol-1-yl)phenyl]methanol
PubChem CID170871700
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name[4-(3,5-ditert-butylpyrazol-1-yl)phenyl]methanol
SMILESCC(C)(C)c1cc(C(C)(C)C)n(-c2ccc(CO)cc2)n1
InChIInChI=1S/C18H26N2O/c1-17(2,3)15-11-16(18(4,5)6)20(19-15)14-9-7-13(12-21)8-10-14/h7-11,21H,12H2,1-6H3
InChIKeyHTPDHDUWAHNJED-UHFFFAOYSA-N
XLogP3.96
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-ditert-butyl-1-(4-methylphenyl)pyrazole
CID 23570444
3-tert-butyl-1-(4-ethylphenyl)pyrazol-5-amine;hydrochloride
CID 68538663
N-cyclohexyl-4-(3,5-ditert-butylpyrazol-1-yl)benzamide
CID 6736213
3-tert-butyl-1-[4-[(dimethylamino)methyl]phenyl]pyrazol-5-amine
CID 67021582
[4-(5-amino-3-tert-butylpyrazol-1-yl)phenyl]methanesulfinate
CID 174608664
N'-[4-(3,5-ditert-butylpyrazol-1-yl)benzoyl]-5-methyl-2-phenyltriazole-4-carbohydrazide
CID 6733170
3,5-ditert-butyl-1-(2-chlorophenyl)pyrazole
CID 43531669
3,5-ditert-butyl-1-[(4-chlorophenyl)methyl]pyrazole
CID 63404887
[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine
CID 87723682
3-tert-butyl-1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]pyrazol-5-amine
CID 58532546
[4-(3-tert-butyl-5-isocyanatopyrazol-1-yl)phenyl]methanesulfinic acid
CID 174623223
N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-4-ethylbenzamide
CID 42732616

Frequently Asked Questions

What is the IUPAC name of [4-(3,5-ditert-butylpyrazol-1-yl)phenyl]methanol?
The IUPAC name of [4-(3,5-ditert-butylpyrazol-1-yl)phenyl]methanol (CID 170871700) is [4-(3,5-ditert-butylpyrazol-1-yl)phenyl]methanol.
What is the SMILES notation for [4-(3,5-ditert-butylpyrazol-1-yl)phenyl]methanol?
The canonical SMILES for [4-(3,5-ditert-butylpyrazol-1-yl)phenyl]methanol is CC(C)(C)c1cc(C(C)(C)C)n(-c2ccc(CO)cc2)n1.
What is the InChIKey of [4-(3,5-ditert-butylpyrazol-1-yl)phenyl]methanol?
The InChIKey is HTPDHDUWAHNJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-17(2,3)15-11-16(18(4,5)6)20(19-15)14-9-7-13(12-21)8-10-14/h7-11,21H,12H2,1-6H3.
What are the key properties of [4-(3,5-ditert-butylpyrazol-1-yl)phenyl]methanol?
[4-(3,5-ditert-butylpyrazol-1-yl)phenyl]methanol has a molecular weight of 286.42 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5-ditert-butylpyrazol-1-yl)phenyl]methanol is sourced from PubChem (CID 170871700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).