1-[5-methyl-4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]-2-pyridazin-4-ylethanone

C24H22N4O2 — CID 160947499

IUPAC1-[5-methyl-4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]-2-pyridazin-4-ylethanone
SMILESCc1cc(C(=O)Cc2ccnnc2)c(OCc2ccccc2)cc1-c1cnn(C)c1
InChIInChI=1S/C24H22N4O2/c1-17-10-22(23(29)11-19-8-9-25-26-13-19)24(30-16-18-6-4-3-5-7-18)12-21(17)20-14-27-28(2)15-20/h3-10,12-15H,11,16H2,1-2H3
InChIKeySVHSNAAWPATHBF-UHFFFAOYSA-N
MW398.47 g/mol
LogP4.19
Rot. Bonds7

About 1-[5-methyl-4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]-2-pyridazin-4-ylethanone

1-[5-methyl-4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]-2-pyridazin-4-ylethanone (PubChem CID 160947499) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 1-[5-methyl-4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]-2-pyridazin-4-ylethanone.

Molecular Properties

Compound Name1-[5-methyl-4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]-2-pyridazin-4-ylethanone
PubChem CID160947499
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name1-[5-methyl-4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]-2-pyridazin-4-ylethanone
SMILESCc1cc(C(=O)Cc2ccnnc2)c(OCc2ccccc2)cc1-c1cnn(C)c1
InChIInChI=1S/C24H22N4O2/c1-17-10-22(23(29)11-19-8-9-25-26-13-19)24(30-16-18-6-4-3-5-7-18)12-21(17)20-14-27-28(2)15-20/h3-10,12-15H,11,16H2,1-2H3
InChIKeySVHSNAAWPATHBF-UHFFFAOYSA-N
XLogP4.19
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-2-(1-methylpyrazol-4-yl)-5-phenylmethoxy-4-(2-pyridin-3-ylacetyl)benzamide
CID 146940797
2-(3-methylphenyl)-1-[4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]ethanone
CID 161153519
2-(4-methylphenyl)-1-[4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]ethanone
CID 159458448
4-(dimethylcarbamoyl)-5-(1-methylpyrazol-4-yl)-2-phenylmethoxybenzoic acid
CID 66611962
3-(1-methylpyrazol-4-yl)-4-phenylmethoxybenzenethiol
CID 167225778
benzyl 4-(dimethylcarbamoyl)-5-(1-methylpyrazol-4-yl)-2-phenylmethoxybenzoate
CID 66611924
N-(2,6-dimethylphenyl)-4-(1-methylpyrazol-4-yl)-2-phenylmethoxybenzamide
CID 135143780
5-(1-methylpyrazol-4-yl)-4-(morpholine-4-carbonyl)-2-phenylmethoxybenzoic acid
CID 66611117
2-methyl-5-(4-methylpiperazin-1-yl)-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)-4-phenylmethoxyphenyl]ethyl]benzamide
CID 165115941
1-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-2-(2-methyl-3-pyridinyl)ethanone
CID 158911556
1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-pyridin-3-ylethanone
CID 157130590
2-methoxy-4-methyl-5-(1-methylpyrazol-4-yl)benzoic acid
CID 146225350

Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]-2-pyridazin-4-ylethanone?
The IUPAC name of 1-[5-methyl-4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]-2-pyridazin-4-ylethanone (CID 160947499) is 1-[5-methyl-4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]-2-pyridazin-4-ylethanone.
What is the SMILES notation for 1-[5-methyl-4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]-2-pyridazin-4-ylethanone?
The canonical SMILES for 1-[5-methyl-4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]-2-pyridazin-4-ylethanone is Cc1cc(C(=O)Cc2ccnnc2)c(OCc2ccccc2)cc1-c1cnn(C)c1.
What is the InChIKey of 1-[5-methyl-4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]-2-pyridazin-4-ylethanone?
The InChIKey is SVHSNAAWPATHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-17-10-22(23(29)11-19-8-9-25-26-13-19)24(30-16-18-6-4-3-5-7-18)12-21(17)20-14-27-28(2)15-20/h3-10,12-15H,11,16H2,1-2H3.
What are the key properties of 1-[5-methyl-4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]-2-pyridazin-4-ylethanone?
1-[5-methyl-4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]-2-pyridazin-4-ylethanone has a molecular weight of 398.47 g/mol, XLogP of 4.19, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]-2-pyridazin-4-ylethanone is sourced from PubChem (CID 160947499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).