[1-[(4-tert-butylphenyl)methyl]pyrazol-4-yl]methanol

C15H20N2O — CID 55109077

IUPAC[1-[(4-tert-butylphenyl)methyl]pyrazol-4-yl]methanol
SMILESCC(C)(C)c1ccc(Cn2cc(CO)cn2)cc1
InChIInChI=1S/C15H20N2O/c1-15(2,3)14-6-4-12(5-7-14)9-17-10-13(11-18)8-16-17/h4-8,10,18H,9,11H2,1-3H3
InChIKeyNXHWBSVFZCYXGM-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.72
Rot. Bonds3

About [1-[(4-tert-butylphenyl)methyl]pyrazol-4-yl]methanol

[1-[(4-tert-butylphenyl)methyl]pyrazol-4-yl]methanol (PubChem CID 55109077) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is [1-[(4-tert-butylphenyl)methyl]pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[(4-tert-butylphenyl)methyl]pyrazol-4-yl]methanol
PubChem CID55109077
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name[1-[(4-tert-butylphenyl)methyl]pyrazol-4-yl]methanol
SMILESCC(C)(C)c1ccc(Cn2cc(CO)cn2)cc1
InChIInChI=1S/C15H20N2O/c1-15(2,3)14-6-4-12(5-7-14)9-17-10-13(11-18)8-16-17/h4-8,10,18H,9,11H2,1-3H3
InChIKeyNXHWBSVFZCYXGM-UHFFFAOYSA-N
XLogP2.72
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[[4-(4-fluorophenyl)phenyl]methyl]pyrazol-4-yl]methanol
CID 166351915
1-benzyl-4-[1-[(4-tert-butylphenyl)methyl]pyrazol-4-yl]pyrazole
CID 47012747
tert-butyl N-[[1-[[4-(hydroxymethyl)phenyl]methyl]pyrazol-4-yl]methyl]carbamate
CID 110006016
[1-[(3-methylphenyl)methyl]pyrazol-4-yl]methanol
CID 62730723
[1-[[4-(1,3,5-trimethylpyrazol-4-yl)phenyl]methyl]pyrazol-4-yl]methanol
CID 166240170
1-[(4-tert-butylphenyl)methyl]-4-(1-phenylpyrazol-4-yl)pyrazole
CID 47012731
4-tert-butyl-1-[(4-methoxyphenyl)methyl]pyrazole
CID 155787800
[4-(chloromethyl)phenyl]methanol;[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methanol
CID 158250652
[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]methanamine
CID 62727284
[1-[[4-[2-methyl-4-(trifluoromethoxy)phenyl]phenyl]methyl]pyrazol-4-yl]methanol
CID 166351969
4-[(4-ethylpyrazol-1-yl)methyl]benzoic acid
CID 130219911
[1-(2-chloroethyl)pyrazol-4-yl]methanol
CID 4711793

Frequently Asked Questions

What is the IUPAC name of [1-[(4-tert-butylphenyl)methyl]pyrazol-4-yl]methanol?
The IUPAC name of [1-[(4-tert-butylphenyl)methyl]pyrazol-4-yl]methanol (CID 55109077) is [1-[(4-tert-butylphenyl)methyl]pyrazol-4-yl]methanol.
What is the SMILES notation for [1-[(4-tert-butylphenyl)methyl]pyrazol-4-yl]methanol?
The canonical SMILES for [1-[(4-tert-butylphenyl)methyl]pyrazol-4-yl]methanol is CC(C)(C)c1ccc(Cn2cc(CO)cn2)cc1.
What is the InChIKey of [1-[(4-tert-butylphenyl)methyl]pyrazol-4-yl]methanol?
The InChIKey is NXHWBSVFZCYXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-15(2,3)14-6-4-12(5-7-14)9-17-10-13(11-18)8-16-17/h4-8,10,18H,9,11H2,1-3H3.
What are the key properties of [1-[(4-tert-butylphenyl)methyl]pyrazol-4-yl]methanol?
[1-[(4-tert-butylphenyl)methyl]pyrazol-4-yl]methanol has a molecular weight of 244.34 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-tert-butylphenyl)methyl]pyrazol-4-yl]methanol is sourced from PubChem (CID 55109077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).