4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-phenacylphthalazin-1-one

C20H17N5O2 — CID 21106492

IUPAC4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-phenacylphthalazin-1-one
SMILESCc1cc(Nc2nn(CC(=O)c3ccccc3)c(=O)c3ccccc23)n[nH]1
InChIInChI=1S/C20H17N5O2/c1-13-11-18(23-22-13)21-19-15-9-5-6-10-16(15)20(27)25(24-19)12-17(26)14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H2,21,22,23,24)
InChIKeyZYWAUCIAPLYMIZ-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.05
Rot. Bonds5

About 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-phenacylphthalazin-1-one

4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-phenacylphthalazin-1-one (PubChem CID 21106492) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-phenacylphthalazin-1-one.

Molecular Properties

Compound Name4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-phenacylphthalazin-1-one
PubChem CID21106492
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC Name4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-phenacylphthalazin-1-one
SMILESCc1cc(Nc2nn(CC(=O)c3ccccc3)c(=O)c3ccccc23)n[nH]1
InChIInChI=1S/C20H17N5O2/c1-13-11-18(23-22-13)21-19-15-9-5-6-10-16(15)20(27)25(24-19)12-17(26)14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H2,21,22,23,24)
InChIKeyZYWAUCIAPLYMIZ-UHFFFAOYSA-N
XLogP3.05
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-(5-Cyclopropyl-1H-pyrazol-3-yl)-2-[4-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)phenyl]propanamide
CID 5330955
3-Phenylacetamidoaminopyrazole deriv. 39
CID 6538741
4-[(5-Methyl-1h-Pyrazol-3-Yl)amino]-2-Phenylphthalazin-1(2h)-One
CID 11652621
N1-(3-phenyl-1H-pyrazol-5-yl)-2-fluorobenzamide
CID 339733
N1-(3-phenyl-1H-pyrazol-5-yl)benzamide
CID 339735
3-Aminopyrazole deriv. 19
CID 5330954
Benzamide, N-(5-methyl-1H-pyrazol-3-yl)-
CID 4247366
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-oxo-2-phenylacetamide
CID 5330945
7-(4-Methylpiperazin-1-Yl)-4-[(5-Methyl-1h-Pyrazol-3-Yl)amino]-2-(Propan-2-Yl)phthalazin-1(2h)-One
CID 11545405
4-(1H-pyrazol-3-ylamino)-2-p-tolylphthalazin-1(2H)-one
CID 11500669
2-[2-(4-Methoxyphenyl)-2-oxoethyl]-4-(5-methyl-1H-pyrazol-3-ylamino)-2H-phthalazin-1-one
CID 11501979
2-(4-Fluorobenzyl)-4-(5-methyl-1H-pyrazol-3-ylamino)-2Hphthalazin-1-one
CID 11508531

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-phenacylphthalazin-1-one?
The IUPAC name of 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-phenacylphthalazin-1-one (CID 21106492) is 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-phenacylphthalazin-1-one.
What is the SMILES notation for 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-phenacylphthalazin-1-one?
The canonical SMILES for 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-phenacylphthalazin-1-one is Cc1cc(Nc2nn(CC(=O)c3ccccc3)c(=O)c3ccccc23)n[nH]1.
What is the InChIKey of 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-phenacylphthalazin-1-one?
The InChIKey is ZYWAUCIAPLYMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c1-13-11-18(23-22-13)21-19-15-9-5-6-10-16(15)20(27)25(24-19)12-17(26)14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H2,21,22,23,24).
What are the key properties of 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-phenacylphthalazin-1-one?
4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-phenacylphthalazin-1-one has a molecular weight of 359.39 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-phenacylphthalazin-1-one is sourced from PubChem (CID 21106492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).