2-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]-4-phenylphthalazin-1-one

C26H23N5O — CID 36697142

IUPAC2-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]-4-phenylphthalazin-1-one
SMILESCN(Cc1cnn(-c2ccccc2)c1)Cn1nc(-c2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C26H23N5O/c1-29(17-20-16-27-30(18-20)22-12-6-3-7-13-22)19-31-26(32)24-15-9-8-14-23(24)25(28-31)21-10-4-2-5-11-21/h2-16,18H,17,19H2,1H3
InChIKeyHTRHZYNENGFJEV-UHFFFAOYSA-N
MW421.50 g/mol
LogP4.34
Rot. Bonds6

About 2-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]-4-phenylphthalazin-1-one

2-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]-4-phenylphthalazin-1-one (PubChem CID 36697142) has the molecular formula C26H23N5O and a molecular weight of 421.50 g/mol. Its IUPAC name is 2-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]-4-phenylphthalazin-1-one.

Molecular Properties

Compound Name2-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]-4-phenylphthalazin-1-one
PubChem CID36697142
Molecular FormulaC26H23N5O
Molecular Weight421.50 g/mol
Exact Mass421.19
IUPAC Name2-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]-4-phenylphthalazin-1-one
SMILESCN(Cc1cnn(-c2ccccc2)c1)Cn1nc(-c2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C26H23N5O/c1-29(17-20-16-27-30(18-20)22-12-6-3-7-13-22)19-31-26(32)24-15-9-8-14-23(24)25(28-31)21-10-4-2-5-11-21/h2-16,18H,17,19H2,1H3
InChIKeyHTRHZYNENGFJEV-UHFFFAOYSA-N
XLogP4.34
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 17407858
N-methyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 29417377
2-[[(2,3-dichlorophenyl)methyl-methylamino]methyl]-4-phenylphthalazin-1-one
CID 36698847
3-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one
CID 35946259
2-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]-3H-quinazolin-4-one
CID 135579792
4-methyl-5-(2-methylphenyl)-2-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]-1,2,4-triazole-3-thione
CID 9322211
N-methyl-4-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-3-propan-2-ylphthalazine-1-carboxamide
CID 55429046
3-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]-5-propylsulfanyl-1,3,4-thiadiazole-2-thione
CID 9322302
2-[[(5-bromothiophen-2-yl)methyl-methylamino]methyl]-4-(4-methylphenyl)phthalazin-1-one
CID 38955131
1-methyl-3-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]benzimidazole-2-thione
CID 31388003
5-(3,4-dimethoxyphenyl)-3-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]-1,3,4-oxadiazole-2-thione
CID 55430163
1-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]butan-2-ol
CID 111105745

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]-4-phenylphthalazin-1-one?
The IUPAC name of 2-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]-4-phenylphthalazin-1-one (CID 36697142) is 2-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]-4-phenylphthalazin-1-one.
What is the SMILES notation for 2-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]-4-phenylphthalazin-1-one?
The canonical SMILES for 2-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]-4-phenylphthalazin-1-one is CN(Cc1cnn(-c2ccccc2)c1)Cn1nc(-c2ccccc2)c2ccccc2c1=O.
What is the InChIKey of 2-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]-4-phenylphthalazin-1-one?
The InChIKey is HTRHZYNENGFJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O/c1-29(17-20-16-27-30(18-20)22-12-6-3-7-13-22)19-31-26(32)24-15-9-8-14-23(24)25(28-31)21-10-4-2-5-11-21/h2-16,18H,17,19H2,1H3.
What are the key properties of 2-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]-4-phenylphthalazin-1-one?
2-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]-4-phenylphthalazin-1-one has a molecular weight of 421.50 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]-4-phenylphthalazin-1-one is sourced from PubChem (CID 36697142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).