N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide

C21H19N5O3 — CID 2450412

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESCc1c(NC(=O)Cc2n[nH]c(=O)c3ccccc23)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C21H19N5O3/c1-13-19(21(29)26(25(13)2)14-8-4-3-5-9-14)22-18(27)12-17-15-10-6-7-11-16(15)20(28)24-23-17/h3-11H,12H2,1-2H3,(H,22,27)(H,24,28)
InChIKeyNWCZNTFNCYYNRQ-UHFFFAOYSA-N
MW389.42 g/mol
LogP1.90
Rot. Bonds4

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide (PubChem CID 2450412) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
PubChem CID2450412
Molecular FormulaC21H19N5O3
Molecular Weight389.42 g/mol
Exact Mass389.15
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESCc1c(NC(=O)Cc2n[nH]c(=O)c3ccccc23)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C21H19N5O3/c1-13-19(21(29)26(25(13)2)14-8-4-3-5-9-14)22-18(27)12-17-15-10-6-7-11-16(15)20(28)24-23-17/h3-11H,12H2,1-2H3,(H,22,27)(H,24,28)
InChIKeyNWCZNTFNCYYNRQ-UHFFFAOYSA-N
XLogP1.90
TPSA101.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 108792024
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N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,3-dimethylbutanamide
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CID 1412018
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[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135525837
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)dodecanamide
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Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide (CID 2450412) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide is Cc1c(NC(=O)Cc2n[nH]c(=O)c3ccccc23)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The InChIKey is NWCZNTFNCYYNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3/c1-13-19(21(29)26(25(13)2)14-8-4-3-5-9-14)22-18(27)12-17-15-10-6-7-11-16(15)20(28)24-23-17/h3-11H,12H2,1-2H3,(H,22,27)(H,24,28).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide has a molecular weight of 389.42 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide is sourced from PubChem (CID 2450412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).