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

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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).