1-[6-(4-chlorophenyl)-4-methyl-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol

C15H21ClN2O — CID 22751168

IUPAC1-[6-(4-chlorophenyl)-4-methyl-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol
SMILESCCC(O)CN1CC(C)CC(c2ccc(Cl)cc2)=N1
InChIInChI=1S/C15H21ClN2O/c1-3-14(19)10-18-9-11(2)8-15(17-18)12-4-6-13(16)7-5-12/h4-7,11,14,19H,3,8-10H2,1-2H3
InChIKeyWRCSNJLSMRPHIW-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.16
Rot. Bonds4

About 1-[6-(4-chlorophenyl)-4-methyl-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol

1-[6-(4-chlorophenyl)-4-methyl-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol (PubChem CID 22751168) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 1-[6-(4-chlorophenyl)-4-methyl-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol.

Molecular Properties

Compound Name1-[6-(4-chlorophenyl)-4-methyl-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol
PubChem CID22751168
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name1-[6-(4-chlorophenyl)-4-methyl-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol
SMILESCCC(O)CN1CC(C)CC(c2ccc(Cl)cc2)=N1
InChIInChI=1S/C15H21ClN2O/c1-3-14(19)10-18-9-11(2)8-15(17-18)12-4-6-13(16)7-5-12/h4-7,11,14,19H,3,8-10H2,1-2H3
InChIKeyWRCSNJLSMRPHIW-UHFFFAOYSA-N
XLogP3.16
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-chlorophenyl)-4-methyl-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol?
The IUPAC name of 1-[6-(4-chlorophenyl)-4-methyl-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol (CID 22751168) is 1-[6-(4-chlorophenyl)-4-methyl-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol.
What is the SMILES notation for 1-[6-(4-chlorophenyl)-4-methyl-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol?
The canonical SMILES for 1-[6-(4-chlorophenyl)-4-methyl-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol is CCC(O)CN1CC(C)CC(c2ccc(Cl)cc2)=N1.
What is the InChIKey of 1-[6-(4-chlorophenyl)-4-methyl-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol?
The InChIKey is WRCSNJLSMRPHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-3-14(19)10-18-9-11(2)8-15(17-18)12-4-6-13(16)7-5-12/h4-7,11,14,19H,3,8-10H2,1-2H3.
What are the key properties of 1-[6-(4-chlorophenyl)-4-methyl-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol?
1-[6-(4-chlorophenyl)-4-methyl-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol has a molecular weight of 280.80 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-chlorophenyl)-4-methyl-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol is sourced from PubChem (CID 22751168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).