2-(cyclopropylmethyl)-5-hydroxy-4-(2-methylphenyl)-6-propan-2-ylpyridazin-3-one

C18H22N2O2 — CID 59400720

IUPAC2-(cyclopropylmethyl)-5-hydroxy-4-(2-methylphenyl)-6-propan-2-ylpyridazin-3-one
SMILESCc1ccccc1-c1c(O)c(C(C)C)nn(CC2CC2)c1=O
InChIInChI=1S/C18H22N2O2/c1-11(2)16-17(21)15(14-7-5-4-6-12(14)3)18(22)20(19-16)10-13-8-9-13/h4-7,11,13,21H,8-10H2,1-3H3
InChIKeyVXRPXLBMTPIDAU-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.46
Rot. Bonds4

About 2-(cyclopropylmethyl)-5-hydroxy-4-(2-methylphenyl)-6-propan-2-ylpyridazin-3-one

2-(cyclopropylmethyl)-5-hydroxy-4-(2-methylphenyl)-6-propan-2-ylpyridazin-3-one (PubChem CID 59400720) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-5-hydroxy-4-(2-methylphenyl)-6-propan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-5-hydroxy-4-(2-methylphenyl)-6-propan-2-ylpyridazin-3-one
PubChem CID59400720
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name2-(cyclopropylmethyl)-5-hydroxy-4-(2-methylphenyl)-6-propan-2-ylpyridazin-3-one
SMILESCc1ccccc1-c1c(O)c(C(C)C)nn(CC2CC2)c1=O
InChIInChI=1S/C18H22N2O2/c1-11(2)16-17(21)15(14-7-5-4-6-12(14)3)18(22)20(19-16)10-13-8-9-13/h4-7,11,13,21H,8-10H2,1-3H3
InChIKeyVXRPXLBMTPIDAU-UHFFFAOYSA-N
XLogP3.46
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylmethyl)-5-hydroxy-6-methyl-4-(2-methylphenyl)pyridazin-3-one
CID 59400784
2-(cyclopropylmethyl)-5-hydroxy-4-(2-methylphenyl)-6-(2-methylpropyl)pyridazin-3-one
CID 59400754
6-cyclopropyl-2-(cyclopropylmethyl)-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one
CID 59400761
carbanide;2-(cyclopropylmethyl)-5-hydroxy-6-methyl-4-(2-methylphenyl)pyridazin-3-one;ethane;yttrium
CID 160587590
2-(2,2-difluoroethyl)-5-hydroxy-4-(2-methylphenyl)-6-propan-2-ylpyridazin-3-one
CID 59400696
2-cyclobutyl-5-hydroxy-4-(2-methylphenyl)-6-propan-2-ylpyridazin-3-one
CID 59400785
carbanide;2-[2-(4-chlorophenyl)ethyl]-5-hydroxy-4-(2-methylphenyl)-6-propan-2-ylpyridazin-3-one;ethane;yttrium
CID 159948341
5-hydroxy-4-(2-methylphenyl)-6-(2-methylpropyl)-2-(2-phenylethyl)pyridazin-3-one
CID 59400751
carbanide;2-(2,2-difluoroethyl)-6-ethyl-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;ethane;yttrium
CID 162070584
carbanide;ethane;6-ethyl-5-hydroxy-4-(2-methylphenyl)-2-propylpyridazin-3-one;yttrium
CID 159059892
carbanide;2-cyclobutyl-5-hydroxy-4-(2-methylphenyl)-6-propylpyridazin-3-one;ethane;yttrium
CID 160804324
6-[(3-fluorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)-2-(2-methylpropyl)pyridazin-3-one
CID 59400740

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-5-hydroxy-4-(2-methylphenyl)-6-propan-2-ylpyridazin-3-one?
The IUPAC name of 2-(cyclopropylmethyl)-5-hydroxy-4-(2-methylphenyl)-6-propan-2-ylpyridazin-3-one (CID 59400720) is 2-(cyclopropylmethyl)-5-hydroxy-4-(2-methylphenyl)-6-propan-2-ylpyridazin-3-one.
What is the SMILES notation for 2-(cyclopropylmethyl)-5-hydroxy-4-(2-methylphenyl)-6-propan-2-ylpyridazin-3-one?
The canonical SMILES for 2-(cyclopropylmethyl)-5-hydroxy-4-(2-methylphenyl)-6-propan-2-ylpyridazin-3-one is Cc1ccccc1-c1c(O)c(C(C)C)nn(CC2CC2)c1=O.
What is the InChIKey of 2-(cyclopropylmethyl)-5-hydroxy-4-(2-methylphenyl)-6-propan-2-ylpyridazin-3-one?
The InChIKey is VXRPXLBMTPIDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-11(2)16-17(21)15(14-7-5-4-6-12(14)3)18(22)20(19-16)10-13-8-9-13/h4-7,11,13,21H,8-10H2,1-3H3.
What are the key properties of 2-(cyclopropylmethyl)-5-hydroxy-4-(2-methylphenyl)-6-propan-2-ylpyridazin-3-one?
2-(cyclopropylmethyl)-5-hydroxy-4-(2-methylphenyl)-6-propan-2-ylpyridazin-3-one has a molecular weight of 298.39 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-5-hydroxy-4-(2-methylphenyl)-6-propan-2-ylpyridazin-3-one is sourced from PubChem (CID 59400720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).