N-[4-[[1-oxo-4-(1H-pyrazol-5-ylamino)phthalazin-2-yl]methyl]phenyl]acetamide

C20H18N6O2 — CID 11689306

IUPACN-[4-[[1-oxo-4-(1H-pyrazol-5-ylamino)phthalazin-2-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Cn2nc(Nc3ccn[nH]3)c3ccccc3c2=O)cc1
InChIInChI=1S/C20H18N6O2/c1-13(27)22-15-8-6-14(7-9-15)12-26-20(28)17-5-3-2-4-16(17)19(25-26)23-18-10-11-21-24-18/h2-11H,12H2,1H3,(H,22,27)(H2,21,23,24,25)
InChIKeyMOWOODVZLKWUAO-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.87
Rot. Bonds5

About N-[4-[[1-oxo-4-(1H-pyrazol-5-ylamino)phthalazin-2-yl]methyl]phenyl]acetamide

N-[4-[[1-oxo-4-(1H-pyrazol-5-ylamino)phthalazin-2-yl]methyl]phenyl]acetamide (PubChem CID 11689306) has the molecular formula C20H18N6O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-[4-[[1-oxo-4-(1H-pyrazol-5-ylamino)phthalazin-2-yl]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[1-oxo-4-(1H-pyrazol-5-ylamino)phthalazin-2-yl]methyl]phenyl]acetamide
PubChem CID11689306
Molecular FormulaC20H18N6O2
Molecular Weight374.40 g/mol
Exact Mass374.15
IUPAC NameN-[4-[[1-oxo-4-(1H-pyrazol-5-ylamino)phthalazin-2-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Cn2nc(Nc3ccn[nH]3)c3ccccc3c2=O)cc1
InChIInChI=1S/C20H18N6O2/c1-13(27)22-15-8-6-14(7-9-15)12-26-20(28)17-5-3-2-4-16(17)19(25-26)23-18-10-11-21-24-18/h2-11H,12H2,1H3,(H,22,27)(H2,21,23,24,25)
InChIKeyMOWOODVZLKWUAO-UHFFFAOYSA-N
XLogP2.87
TPSA104.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[4-[[1-oxo-4-(1H-pyrazol-5-ylamino)phthalazin-2-yl]methyl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
4-[(5-Methyl-1h-Pyrazol-3-Yl)amino]-2-Phenylphthalazin-1(2h)-One
CID 11652621
3-Aminopyrazole deriv. 19
CID 5330954
7-(4-Methylpiperazin-1-Yl)-4-[(5-Methyl-1h-Pyrazol-3-Yl)amino]-2-(Propan-2-Yl)phthalazin-1(2h)-One
CID 11545405
4-(4-Methyl-3-oxo-3,4-dihydro-quinoxalin-2-ylamino)-N-(2H-pyrazol-3-yl)-benzamide
CID 11337343
4-(1H-pyrazol-3-ylamino)-2-p-tolylphthalazin-1(2H)-one
CID 11500669
2-(4-Fluorobenzyl)-4-(5-methyl-1H-pyrazol-3-ylamino)-2Hphthalazin-1-one
CID 11508531
N-{4-[1-Oxo-4-(1H-pyrazol-3-ylamino)-1H-phthalazin-2-ylmethyl]phenyl}acetamide
CID 11545541
4-(5-methyl-1H-pyrazol-3-ylamino)-2-(2,2,2-trifluoroethyl)phthalazin-1(2H)-one
CID 11551547
2-Benzyl-4-(5-methyl-1h-pyrazol-3-ylamino)-2h-phthalazin-1-one
CID 11587983
2-(3,5-Difluorobenzyl)-4-(5-methyl-1H-pyrazol-3-ylamino)-2H-phthalazin-1-one
CID 11603072
2-(4-Fluorophenyl)-4-(5-methyl-1H-pyrazol-3-ylamino)-2Hphthalazin-1-one
CID 11624169

Frequently Asked Questions

What is the IUPAC name of N-[4-[[1-oxo-4-(1H-pyrazol-5-ylamino)phthalazin-2-yl]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[1-oxo-4-(1H-pyrazol-5-ylamino)phthalazin-2-yl]methyl]phenyl]acetamide (CID 11689306) is N-[4-[[1-oxo-4-(1H-pyrazol-5-ylamino)phthalazin-2-yl]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[1-oxo-4-(1H-pyrazol-5-ylamino)phthalazin-2-yl]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[1-oxo-4-(1H-pyrazol-5-ylamino)phthalazin-2-yl]methyl]phenyl]acetamide is CC(=O)Nc1ccc(Cn2nc(Nc3ccn[nH]3)c3ccccc3c2=O)cc1.
What is the InChIKey of N-[4-[[1-oxo-4-(1H-pyrazol-5-ylamino)phthalazin-2-yl]methyl]phenyl]acetamide?
The InChIKey is MOWOODVZLKWUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2/c1-13(27)22-15-8-6-14(7-9-15)12-26-20(28)17-5-3-2-4-16(17)19(25-26)23-18-10-11-21-24-18/h2-11H,12H2,1H3,(H,22,27)(H2,21,23,24,25).
What are the key properties of N-[4-[[1-oxo-4-(1H-pyrazol-5-ylamino)phthalazin-2-yl]methyl]phenyl]acetamide?
N-[4-[[1-oxo-4-(1H-pyrazol-5-ylamino)phthalazin-2-yl]methyl]phenyl]acetamide has a molecular weight of 374.40 g/mol, XLogP of 2.87, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[1-oxo-4-(1H-pyrazol-5-ylamino)phthalazin-2-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 11689306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).