N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide

C28H24ClN5O2 — CID 24547320

IUPACN-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)Cc1nn(C)c(=O)c2ccccc12
InChIInChI=1S/C28H24ClN5O2/c1-32(26(35)16-25-23-10-6-7-11-24(23)28(36)33(2)30-25)17-20-18-34(22-8-4-3-5-9-22)31-27(20)19-12-14-21(29)15-13-19/h3-15,18H,16-17H2,1-2H3
InChIKeyFJRTYJYYWGTZPN-UHFFFAOYSA-N
MW497.99 g/mol
LogP4.64
Rot. Bonds6

About N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide

N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (PubChem CID 24547320) has the molecular formula C28H24ClN5O2 and a molecular weight of 497.99 g/mol. Its IUPAC name is N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
PubChem CID24547320
Molecular FormulaC28H24ClN5O2
Molecular Weight497.99 g/mol
Exact Mass497.16
IUPAC NameN-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)Cc1nn(C)c(=O)c2ccccc12
InChIInChI=1S/C28H24ClN5O2/c1-32(26(35)16-25-23-10-6-7-11-24(23)28(36)33(2)30-25)17-20-18-34(22-8-4-3-5-9-22)31-27(20)19-12-14-21(29)15-13-19/h3-15,18H,16-17H2,1-2H3
InChIKeyFJRTYJYYWGTZPN-UHFFFAOYSA-N
XLogP4.64
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.99
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-acetamidophenyl)-N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-methylacetamide
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N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N,3-dimethylbut-2-enamide
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N-[2-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl-methylamino]-2-oxoethyl]benzamide
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N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-4-(methylamino)butanamide;hydrochloride
CID 119688729
2-[methyl-[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]acetic acid
CID 119136397
N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-2-(pyridin-4-ylmethylsulfanyl)acetamide
CID 52669341
N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-4-fluoro-N-methylbenzamide
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1-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-1-methyl-3-(2-methylpropyl)urea
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1-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-1-methyl-3-prop-2-ynylurea
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N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-4-methoxy-N-methylbenzamide
CID 18292471
N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N,3-dimethylbenzamide
CID 18205415
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Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The IUPAC name of N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (CID 24547320) is N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.
What is the SMILES notation for N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The canonical SMILES for N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)Cc1nn(C)c(=O)c2ccccc12.
What is the InChIKey of N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The InChIKey is FJRTYJYYWGTZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24ClN5O2/c1-32(26(35)16-25-23-10-6-7-11-24(23)28(36)33(2)30-25)17-20-18-34(22-8-4-3-5-9-22)31-27(20)19-12-14-21(29)15-13-19/h3-15,18H,16-17H2,1-2H3.
What are the key properties of N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide has a molecular weight of 497.99 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is sourced from PubChem (CID 24547320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).