4-[5-tert-butyl-2-(4-chlorophenyl)-3,4-dihydropyrazol-3-yl]-2-chlorophenol

C19H20Cl2N2O — CID 118710722

IUPAC4-[5-tert-butyl-2-(4-chlorophenyl)-3,4-dihydropyrazol-3-yl]-2-chlorophenol
SMILESCC(C)(C)C1=NN(c2ccc(Cl)cc2)C(c2ccc(O)c(Cl)c2)C1
InChIInChI=1S/C19H20Cl2N2O/c1-19(2,3)18-11-16(12-4-9-17(24)15(21)10-12)23(22-18)14-7-5-13(20)6-8-14/h4-10,16,24H,11H2,1-3H3
InChIKeyJKDMJTJJMOVVOW-UHFFFAOYSA-N
MW363.29 g/mol
LogP6.05
Rot. Bonds2

About 4-[5-tert-butyl-2-(4-chlorophenyl)-3,4-dihydropyrazol-3-yl]-2-chlorophenol

4-[5-tert-butyl-2-(4-chlorophenyl)-3,4-dihydropyrazol-3-yl]-2-chlorophenol (PubChem CID 118710722) has the molecular formula C19H20Cl2N2O and a molecular weight of 363.29 g/mol. Its IUPAC name is 4-[5-tert-butyl-2-(4-chlorophenyl)-3,4-dihydropyrazol-3-yl]-2-chlorophenol.

Molecular Properties

Compound Name4-[5-tert-butyl-2-(4-chlorophenyl)-3,4-dihydropyrazol-3-yl]-2-chlorophenol
PubChem CID118710722
Molecular FormulaC19H20Cl2N2O
Molecular Weight363.29 g/mol
Exact Mass362.10
IUPAC Name4-[5-tert-butyl-2-(4-chlorophenyl)-3,4-dihydropyrazol-3-yl]-2-chlorophenol
SMILESCC(C)(C)C1=NN(c2ccc(Cl)cc2)C(c2ccc(O)c(Cl)c2)C1
InChIInChI=1S/C19H20Cl2N2O/c1-19(2,3)18-11-16(12-4-9-17(24)15(21)10-12)23(22-18)14-7-5-13(20)6-8-14/h4-10,16,24H,11H2,1-3H3
InChIKeyJKDMJTJJMOVVOW-UHFFFAOYSA-N
XLogP6.05
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.29
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[5-Tert-butyl-2-(3,4-difluorophenyl)-3,4-dihydropyrazol-3-yl]phenol
CID 118710712
5-[5-Tert-butyl-2-(3-chlorophenyl)-3,4-dihydropyrazol-3-yl]-2-fluorophenol
CID 118710723
4-[2-(3-Chlorophenyl)-5-(2-hydroxyphenyl)-4-methyl-3,4-dihydropyrazol-3-yl]-2-fluorophenol
CID 136931818
4-[5-Tert-butyl-2-(3-chloro-4-fluorophenyl)-3,4-dihydropyrazol-3-yl]phenol
CID 118710711
4-[5-Tert-butyl-2-(2,3,4-trifluorophenyl)-3,4-dihydropyrazol-3-yl]phenol
CID 118710713
4-[3-(3-Chlorophenyl)-2-(4-chlorophenyl)-3,4-dihydropyrazol-5-yl]phenol
CID 145981790
4-[2,3-Bis(3-chlorophenyl)-3,4-dihydropyrazol-5-yl]phenol
CID 145988891
4-[2-(3-Chlorophenyl)-3-(4-chlorophenyl)-3,4-dihydropyrazol-5-yl]phenol
CID 145989758
4-[2-(4-Chlorophenyl)-5-phenyl-3,4-dihydropyrazol-3-yl]phenol
CID 15096511
4-[5-Tert-butyl-2-(4-chlorophenyl)-3,4-dihydropyrazol-3-yl]phenol
CID 102340754
4-[2-(3-Chlorophenyl)-5-phenyl-3,4-dihydropyrazol-3-yl]phenol
CID 118095304
4-[5-(4-Aminophenyl)-2-(4-chlorophenyl)-3,4-dihydropyrazol-3-yl]phenol
CID 118095367

Frequently Asked Questions

What is the IUPAC name of 4-[5-tert-butyl-2-(4-chlorophenyl)-3,4-dihydropyrazol-3-yl]-2-chlorophenol?
The IUPAC name of 4-[5-tert-butyl-2-(4-chlorophenyl)-3,4-dihydropyrazol-3-yl]-2-chlorophenol (CID 118710722) is 4-[5-tert-butyl-2-(4-chlorophenyl)-3,4-dihydropyrazol-3-yl]-2-chlorophenol.
What is the SMILES notation for 4-[5-tert-butyl-2-(4-chlorophenyl)-3,4-dihydropyrazol-3-yl]-2-chlorophenol?
The canonical SMILES for 4-[5-tert-butyl-2-(4-chlorophenyl)-3,4-dihydropyrazol-3-yl]-2-chlorophenol is CC(C)(C)C1=NN(c2ccc(Cl)cc2)C(c2ccc(O)c(Cl)c2)C1.
What is the InChIKey of 4-[5-tert-butyl-2-(4-chlorophenyl)-3,4-dihydropyrazol-3-yl]-2-chlorophenol?
The InChIKey is JKDMJTJJMOVVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O/c1-19(2,3)18-11-16(12-4-9-17(24)15(21)10-12)23(22-18)14-7-5-13(20)6-8-14/h4-10,16,24H,11H2,1-3H3.
What are the key properties of 4-[5-tert-butyl-2-(4-chlorophenyl)-3,4-dihydropyrazol-3-yl]-2-chlorophenol?
4-[5-tert-butyl-2-(4-chlorophenyl)-3,4-dihydropyrazol-3-yl]-2-chlorophenol has a molecular weight of 363.29 g/mol, XLogP of 6.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-tert-butyl-2-(4-chlorophenyl)-3,4-dihydropyrazol-3-yl]-2-chlorophenol is sourced from PubChem (CID 118710722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).