(3-tert-butyl-1-methylpyrazol-4-yl)-(2,5-dichlorophenyl)methanol

C15H18Cl2N2O — CID 83091560

IUPAC(3-tert-butyl-1-methylpyrazol-4-yl)-(2,5-dichlorophenyl)methanol
SMILESCn1cc(C(O)c2cc(Cl)ccc2Cl)c(C(C)(C)C)n1
InChIInChI=1S/C15H18Cl2N2O/c1-15(2,3)14-11(8-19(4)18-14)13(20)10-7-9(16)5-6-12(10)17/h5-8,13,20H,1-4H3
InChIKeyHJOYPNDEOZSONJ-UHFFFAOYSA-N
MW313.23 g/mol
LogP4.11
Rot. Bonds2

About (3-tert-butyl-1-methylpyrazol-4-yl)-(2,5-dichlorophenyl)methanol

(3-tert-butyl-1-methylpyrazol-4-yl)-(2,5-dichlorophenyl)methanol (PubChem CID 83091560) has the molecular formula C15H18Cl2N2O and a molecular weight of 313.23 g/mol. Its IUPAC name is (3-tert-butyl-1-methylpyrazol-4-yl)-(2,5-dichlorophenyl)methanol.

Molecular Properties

Compound Name(3-tert-butyl-1-methylpyrazol-4-yl)-(2,5-dichlorophenyl)methanol
PubChem CID83091560
Molecular FormulaC15H18Cl2N2O
Molecular Weight313.23 g/mol
Exact Mass312.08
IUPAC Name(3-tert-butyl-1-methylpyrazol-4-yl)-(2,5-dichlorophenyl)methanol
SMILESCn1cc(C(O)c2cc(Cl)ccc2Cl)c(C(C)(C)C)n1
InChIInChI=1S/C15H18Cl2N2O/c1-15(2,3)14-11(8-19(4)18-14)13(20)10-7-9(16)5-6-12(10)17/h5-8,13,20H,1-4H3
InChIKeyHJOYPNDEOZSONJ-UHFFFAOYSA-N
XLogP4.11
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.23
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-2-fluorophenyl)-(3-tert-butyl-1-methylpyrazol-4-yl)methanol
CID 83091258
(3-tert-butyl-1-methylpyrazol-4-yl)-(2-fluorophenyl)methanol
CID 83090575
1-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(3,4-dichlorophenyl)ethanol
CID 83090725
(3-tert-butyl-1-methylpyrazol-4-yl)-(5-chlorothiophen-2-yl)methanol
CID 83091647
1-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(3-chlorophenyl)ethanol
CID 83091470
(3-tert-butyl-1-methylpyrazol-4-yl)-phenylmethanol
CID 83090018
(3-bromo-2,6-difluorophenyl)-(3-tert-butyl-1-methylpyrazol-4-yl)methanol
CID 106941468
1-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(2-chloro-6-fluorophenyl)ethanol
CID 83091917
3-tert-butyl-4-chloro-1-methylpyrazole
CID 58331974
(2,5-dichlorophenyl)-(4-fluoro-2-methylphenyl)methanol
CID 63894185
(4-bromo-1-methylpyrazol-5-yl)-(3-tert-butyl-1-methylpyrazol-4-yl)methanol
CID 114638010
(3-tert-butyl-1-methylpyrazol-4-yl)-(cyclohexen-1-yl)methanol
CID 106651526

Frequently Asked Questions

What is the IUPAC name of (3-tert-butyl-1-methylpyrazol-4-yl)-(2,5-dichlorophenyl)methanol?
The IUPAC name of (3-tert-butyl-1-methylpyrazol-4-yl)-(2,5-dichlorophenyl)methanol (CID 83091560) is (3-tert-butyl-1-methylpyrazol-4-yl)-(2,5-dichlorophenyl)methanol.
What is the SMILES notation for (3-tert-butyl-1-methylpyrazol-4-yl)-(2,5-dichlorophenyl)methanol?
The canonical SMILES for (3-tert-butyl-1-methylpyrazol-4-yl)-(2,5-dichlorophenyl)methanol is Cn1cc(C(O)c2cc(Cl)ccc2Cl)c(C(C)(C)C)n1.
What is the InChIKey of (3-tert-butyl-1-methylpyrazol-4-yl)-(2,5-dichlorophenyl)methanol?
The InChIKey is HJOYPNDEOZSONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O/c1-15(2,3)14-11(8-19(4)18-14)13(20)10-7-9(16)5-6-12(10)17/h5-8,13,20H,1-4H3.
What are the key properties of (3-tert-butyl-1-methylpyrazol-4-yl)-(2,5-dichlorophenyl)methanol?
(3-tert-butyl-1-methylpyrazol-4-yl)-(2,5-dichlorophenyl)methanol has a molecular weight of 313.23 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butyl-1-methylpyrazol-4-yl)-(2,5-dichlorophenyl)methanol is sourced from PubChem (CID 83091560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).