N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(1-oxophthalazin-2-yl)acetamide

C22H20FN5O2 — CID 55592695

IUPACN-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(1-oxophthalazin-2-yl)acetamide
SMILESCc1c(C(C)NC(=O)Cn2ncc3ccccc3c2=O)cnn1-c1ccc(F)cc1
InChIInChI=1S/C22H20FN5O2/c1-14(20-12-25-28(15(20)2)18-9-7-17(23)8-10-18)26-21(29)13-27-22(30)19-6-4-3-5-16(19)11-24-27/h3-12,14H,13H2,1-2H3,(H,26,29)
InChIKeyADJOGFBOPVYWTA-UHFFFAOYSA-N
MW405.43 g/mol
LogP2.91
Rot. Bonds5

About N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(1-oxophthalazin-2-yl)acetamide

N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(1-oxophthalazin-2-yl)acetamide (PubChem CID 55592695) has the molecular formula C22H20FN5O2 and a molecular weight of 405.43 g/mol. Its IUPAC name is N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(1-oxophthalazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(1-oxophthalazin-2-yl)acetamide
PubChem CID55592695
Molecular FormulaC22H20FN5O2
Molecular Weight405.43 g/mol
Exact Mass405.16
IUPAC NameN-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(1-oxophthalazin-2-yl)acetamide
SMILESCc1c(C(C)NC(=O)Cn2ncc3ccccc3c2=O)cnn1-c1ccc(F)cc1
InChIInChI=1S/C22H20FN5O2/c1-14(20-12-25-28(15(20)2)18-9-7-17(23)8-10-18)26-21(29)13-27-22(30)19-6-4-3-5-16(19)11-24-27/h3-12,14H,13H2,1-2H3,(H,26,29)
InChIKeyADJOGFBOPVYWTA-UHFFFAOYSA-N
XLogP2.91
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethyl]-2-(1-oxophthalazin-2-yl)acetamide
CID 42949419
N-[(1S)-1-(2-bromophenyl)ethyl]-2-(1-oxophthalazin-2-yl)acetamide
CID 9369275
N-[(2S)-butan-2-yl]-2-(1-oxophthalazin-2-yl)acetamide
CID 9369028
N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-(1H-indol-3-yl)propanamide
CID 55579208
(2S)-N-[2-[[(1R)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]amino]-2-oxoethyl]-2-methylbutanamide
CID 52523485
(2S)-N-[2-[[(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]amino]-2-oxoethyl]-2-methylbutanamide
CID 52523483
N-(2-methylpropyl)-2-(1-oxophthalazin-2-yl)acetamide
CID 9369051
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]acetamide
CID 51938661
2-hydroxy-N-[1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]acetamide
CID 72852508
N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 55761547
2-(5-fluoro-2-methylphenyl)-N-[(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]acetamide
CID 97152826
N-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-(1-oxophthalazin-2-yl)acetamide
CID 52606481

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(1-oxophthalazin-2-yl)acetamide?
The IUPAC name of N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(1-oxophthalazin-2-yl)acetamide (CID 55592695) is N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(1-oxophthalazin-2-yl)acetamide.
What is the SMILES notation for N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(1-oxophthalazin-2-yl)acetamide?
The canonical SMILES for N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(1-oxophthalazin-2-yl)acetamide is Cc1c(C(C)NC(=O)Cn2ncc3ccccc3c2=O)cnn1-c1ccc(F)cc1.
What is the InChIKey of N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(1-oxophthalazin-2-yl)acetamide?
The InChIKey is ADJOGFBOPVYWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O2/c1-14(20-12-25-28(15(20)2)18-9-7-17(23)8-10-18)26-21(29)13-27-22(30)19-6-4-3-5-16(19)11-24-27/h3-12,14H,13H2,1-2H3,(H,26,29).
What are the key properties of N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(1-oxophthalazin-2-yl)acetamide?
N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(1-oxophthalazin-2-yl)acetamide has a molecular weight of 405.43 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(1-oxophthalazin-2-yl)acetamide is sourced from PubChem (CID 55592695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).