bis[3-(4-chlorophenyl)-4-ethyl-1-methylpyrazol-5-yl]methanol

C25H26Cl2N4O — CID 69310260

IUPACbis[3-(4-chlorophenyl)-4-ethyl-1-methylpyrazol-5-yl]methanol
SMILESCCc1c(-c2ccc(Cl)cc2)nn(C)c1C(O)c1c(CC)c(-c2ccc(Cl)cc2)nn1C
InChIInChI=1S/C25H26Cl2N4O/c1-5-19-21(15-7-11-17(26)12-8-15)28-30(3)23(19)25(32)24-20(6-2)22(29-31(24)4)16-9-13-18(27)14-10-16/h7-14,25,32H,5-6H2,1-4H3
InChIKeyQEVXZIVCXBQNDD-UHFFFAOYSA-N
MW469.42 g/mol
LogP6.00
Rot. Bonds6

About bis[3-(4-chlorophenyl)-4-ethyl-1-methylpyrazol-5-yl]methanol

bis[3-(4-chlorophenyl)-4-ethyl-1-methylpyrazol-5-yl]methanol (PubChem CID 69310260) has the molecular formula C25H26Cl2N4O and a molecular weight of 469.42 g/mol. Its IUPAC name is bis[3-(4-chlorophenyl)-4-ethyl-1-methylpyrazol-5-yl]methanol.

Molecular Properties

Compound Namebis[3-(4-chlorophenyl)-4-ethyl-1-methylpyrazol-5-yl]methanol
PubChem CID69310260
Molecular FormulaC25H26Cl2N4O
Molecular Weight469.42 g/mol
Exact Mass468.15
IUPAC Namebis[3-(4-chlorophenyl)-4-ethyl-1-methylpyrazol-5-yl]methanol
SMILESCCc1c(-c2ccc(Cl)cc2)nn(C)c1C(O)c1c(CC)c(-c2ccc(Cl)cc2)nn1C
InChIInChI=1S/C25H26Cl2N4O/c1-5-19-21(15-7-11-17(26)12-8-15)28-30(3)23(19)25(32)24-20(6-2)22(29-31(24)4)16-9-13-18(27)14-10-16/h7-14,25,32H,5-6H2,1-4H3
InChIKeyQEVXZIVCXBQNDD-UHFFFAOYSA-N
XLogP6.00
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.42
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of bis[3-(4-chlorophenyl)-4-ethyl-1-methylpyrazol-5-yl]methanol?
The IUPAC name of bis[3-(4-chlorophenyl)-4-ethyl-1-methylpyrazol-5-yl]methanol (CID 69310260) is bis[3-(4-chlorophenyl)-4-ethyl-1-methylpyrazol-5-yl]methanol.
What is the SMILES notation for bis[3-(4-chlorophenyl)-4-ethyl-1-methylpyrazol-5-yl]methanol?
The canonical SMILES for bis[3-(4-chlorophenyl)-4-ethyl-1-methylpyrazol-5-yl]methanol is CCc1c(-c2ccc(Cl)cc2)nn(C)c1C(O)c1c(CC)c(-c2ccc(Cl)cc2)nn1C.
What is the InChIKey of bis[3-(4-chlorophenyl)-4-ethyl-1-methylpyrazol-5-yl]methanol?
The InChIKey is QEVXZIVCXBQNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26Cl2N4O/c1-5-19-21(15-7-11-17(26)12-8-15)28-30(3)23(19)25(32)24-20(6-2)22(29-31(24)4)16-9-13-18(27)14-10-16/h7-14,25,32H,5-6H2,1-4H3.
What are the key properties of bis[3-(4-chlorophenyl)-4-ethyl-1-methylpyrazol-5-yl]methanol?
bis[3-(4-chlorophenyl)-4-ethyl-1-methylpyrazol-5-yl]methanol has a molecular weight of 469.42 g/mol, XLogP of 6.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[3-(4-chlorophenyl)-4-ethyl-1-methylpyrazol-5-yl]methanol is sourced from PubChem (CID 69310260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).