N-(1-benzylpyrazol-4-yl)-3-methyl-4-oxophthalazine-1-carboxamide

C20H17N5O2 — CID 55983536

IUPACN-(1-benzylpyrazol-4-yl)-3-methyl-4-oxophthalazine-1-carboxamide
SMILESCn1nc(C(=O)Nc2cnn(Cc3ccccc3)c2)c2ccccc2c1=O
InChIInChI=1S/C20H17N5O2/c1-24-20(27)17-10-6-5-9-16(17)18(23-24)19(26)22-15-11-21-25(13-15)12-14-7-3-2-4-8-14/h2-11,13H,12H2,1H3,(H,22,26)
InChIKeyZWLMKSJXTRMDQW-UHFFFAOYSA-N
MW359.39 g/mol
LogP2.43
Rot. Bonds4

About N-(1-benzylpyrazol-4-yl)-3-methyl-4-oxophthalazine-1-carboxamide

N-(1-benzylpyrazol-4-yl)-3-methyl-4-oxophthalazine-1-carboxamide (PubChem CID 55983536) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)-3-methyl-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)-3-methyl-4-oxophthalazine-1-carboxamide
PubChem CID55983536
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC NameN-(1-benzylpyrazol-4-yl)-3-methyl-4-oxophthalazine-1-carboxamide
SMILESCn1nc(C(=O)Nc2cnn(Cc3ccccc3)c2)c2ccccc2c1=O
InChIInChI=1S/C20H17N5O2/c1-24-20(27)17-10-6-5-9-16(17)18(23-24)19(26)22-15-11-21-25(13-15)12-14-7-3-2-4-8-14/h2-11,13H,12H2,1H3,(H,22,26)
InChIKeyZWLMKSJXTRMDQW-UHFFFAOYSA-N
XLogP2.43
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-benzylpyrazol-4-yl)-1-methyl-3-propylpyrazole-5-carboxamide
CID 134701056
N-(3,5-dimethylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 2710143
N-(1-benzylpyrazol-4-yl)-1-ethylpyrazole-4-carboxamide
CID 19395795
1-N-(1-benzylpyrazol-4-yl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 166194202
N-(3-acetamidophenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 2666384
4-bromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 19266265
3,5-diacetamido-N-(1-benzylpyrazol-4-yl)benzamide
CID 60552582
1-(1-benzylpyrazol-4-yl)-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 56818896
3-[3-[(1-benzylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19506527
3-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)-4-oxophthalazine-1-carboxamide
CID 31508107
N-(1-benzylpyrazol-4-yl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 55948214
3-methyl-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-oxophthalazine-1-carboxamide
CID 8810791

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-4-yl)-3-methyl-4-oxophthalazine-1-carboxamide?
The IUPAC name of N-(1-benzylpyrazol-4-yl)-3-methyl-4-oxophthalazine-1-carboxamide (CID 55983536) is N-(1-benzylpyrazol-4-yl)-3-methyl-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)-3-methyl-4-oxophthalazine-1-carboxamide?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)-3-methyl-4-oxophthalazine-1-carboxamide is Cn1nc(C(=O)Nc2cnn(Cc3ccccc3)c2)c2ccccc2c1=O.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)-3-methyl-4-oxophthalazine-1-carboxamide?
The InChIKey is ZWLMKSJXTRMDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c1-24-20(27)17-10-6-5-9-16(17)18(23-24)19(26)22-15-11-21-25(13-15)12-14-7-3-2-4-8-14/h2-11,13H,12H2,1H3,(H,22,26).
What are the key properties of N-(1-benzylpyrazol-4-yl)-3-methyl-4-oxophthalazine-1-carboxamide?
N-(1-benzylpyrazol-4-yl)-3-methyl-4-oxophthalazine-1-carboxamide has a molecular weight of 359.39 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-4-yl)-3-methyl-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 55983536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).