2-(4-oxo-3H-phthalazin-1-yl)-N-(5-phenyl-1H-pyrazol-3-yl)acetamide

C19H15N5O2 — CID 166198338

IUPAC2-(4-oxo-3H-phthalazin-1-yl)-N-(5-phenyl-1H-pyrazol-3-yl)acetamide
SMILESO=C(Cc1n[nH]c(=O)c2ccccc12)Nc1cc(-c2ccccc2)[nH]n1
InChIInChI=1S/C19H15N5O2/c25-18(11-16-13-8-4-5-9-14(13)19(26)24-22-16)20-17-10-15(21-23-17)12-6-2-1-3-7-12/h1-10H,11H2,(H,24,26)(H2,20,21,23,25)
InChIKeySRTLTOBCFWLASS-UHFFFAOYSA-N
MW345.36 g/mol
LogP2.49
Rot. Bonds4

About 2-(4-oxo-3H-phthalazin-1-yl)-N-(5-phenyl-1H-pyrazol-3-yl)acetamide

2-(4-oxo-3H-phthalazin-1-yl)-N-(5-phenyl-1H-pyrazol-3-yl)acetamide (PubChem CID 166198338) has the molecular formula C19H15N5O2 and a molecular weight of 345.36 g/mol. Its IUPAC name is 2-(4-oxo-3H-phthalazin-1-yl)-N-(5-phenyl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-oxo-3H-phthalazin-1-yl)-N-(5-phenyl-1H-pyrazol-3-yl)acetamide
PubChem CID166198338
Molecular FormulaC19H15N5O2
Molecular Weight345.36 g/mol
Exact Mass345.12
IUPAC Name2-(4-oxo-3H-phthalazin-1-yl)-N-(5-phenyl-1H-pyrazol-3-yl)acetamide
SMILESO=C(Cc1n[nH]c(=O)c2ccccc12)Nc1cc(-c2ccccc2)[nH]n1
InChIInChI=1S/C19H15N5O2/c25-18(11-16-13-8-4-5-9-14(13)19(26)24-22-16)20-17-10-15(21-23-17)12-6-2-1-3-7-12/h1-10H,11H2,(H,24,26)(H2,20,21,23,25)
InChIKeySRTLTOBCFWLASS-UHFFFAOYSA-N
XLogP2.49
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-naphthalen-1-yl-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 17403437
N-(5-methyl-2-pyridinyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 18106765
N-(2-ethylphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 8839355
N-(5-phenyl-1H-pyrazol-3-yl)butanamide
CID 110868179
N-(benzhydrylideneamino)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 24574917
(2R)-4-amino-4-oxo-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]butanoic acid
CID 133269517
N-(4-chloro-2-fluorophenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 7901318
N-[4-(ethylsulfanylmethyl)-2-pyridinyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 167955554
(2S)-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]propanoic acid
CID 51606533
N-(4-cyanophenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 26703210
N-[(E)-anthracen-9-ylmethylideneamino]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 21229816
N-(3-methylsulfanylphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 4802653

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-3H-phthalazin-1-yl)-N-(5-phenyl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of 2-(4-oxo-3H-phthalazin-1-yl)-N-(5-phenyl-1H-pyrazol-3-yl)acetamide (CID 166198338) is 2-(4-oxo-3H-phthalazin-1-yl)-N-(5-phenyl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(4-oxo-3H-phthalazin-1-yl)-N-(5-phenyl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for 2-(4-oxo-3H-phthalazin-1-yl)-N-(5-phenyl-1H-pyrazol-3-yl)acetamide is O=C(Cc1n[nH]c(=O)c2ccccc12)Nc1cc(-c2ccccc2)[nH]n1.
What is the InChIKey of 2-(4-oxo-3H-phthalazin-1-yl)-N-(5-phenyl-1H-pyrazol-3-yl)acetamide?
The InChIKey is SRTLTOBCFWLASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2/c25-18(11-16-13-8-4-5-9-14(13)19(26)24-22-16)20-17-10-15(21-23-17)12-6-2-1-3-7-12/h1-10H,11H2,(H,24,26)(H2,20,21,23,25).
What are the key properties of 2-(4-oxo-3H-phthalazin-1-yl)-N-(5-phenyl-1H-pyrazol-3-yl)acetamide?
2-(4-oxo-3H-phthalazin-1-yl)-N-(5-phenyl-1H-pyrazol-3-yl)acetamide has a molecular weight of 345.36 g/mol, XLogP of 2.49, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-3H-phthalazin-1-yl)-N-(5-phenyl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 166198338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).