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

C18H16N6O — CID 11716968

IUPAC4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(pyridin-3-ylmethyl)phthalazin-1-one
SMILESCc1cc(Nc2nn(Cc3cccnc3)c(=O)c3ccccc23)n[nH]1
InChIInChI=1S/C18H16N6O/c1-12-9-16(22-21-12)20-17-14-6-2-3-7-15(14)18(25)24(23-17)11-13-5-4-8-19-10-13/h2-10H,11H2,1H3,(H2,20,21,22,23)
InChIKeyNFSIWQPFIWGRHX-UHFFFAOYSA-N
MW332.37 g/mol
LogP2.61
Rot. Bonds4

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

4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(pyridin-3-ylmethyl)phthalazin-1-one (PubChem CID 11716968) has the molecular formula C18H16N6O and a molecular weight of 332.37 g/mol. Its IUPAC name is 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(pyridin-3-ylmethyl)phthalazin-1-one.

Molecular Properties

Compound Name4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(pyridin-3-ylmethyl)phthalazin-1-one
PubChem CID11716968
Molecular FormulaC18H16N6O
Molecular Weight332.37 g/mol
Exact Mass332.14
IUPAC Name4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(pyridin-3-ylmethyl)phthalazin-1-one
SMILESCc1cc(Nc2nn(Cc3cccnc3)c(=O)c3ccccc23)n[nH]1
InChIInChI=1S/C18H16N6O/c1-12-9-16(22-21-12)20-17-14-6-2-3-7-15(14)18(25)24(23-17)11-13-5-4-8-19-10-13/h2-10H,11H2,1H3,(H2,20,21,22,23)
InChIKeyNFSIWQPFIWGRHX-UHFFFAOYSA-N
XLogP2.61
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(5-Methyl-1h-Pyrazol-3-Yl)amino]-2-Phenylphthalazin-1(2h)-One
CID 11652621
(4-((6-(1H-pyrazol-3-ylamino)pyridin-2-yl)methyl)piperazin-1-yl)(2-fluoro-3-(trifluoromethyl)phenyl)methanone
CID 11705035
2-[2-[(1-Methylpyrazol-3-yl)amino]-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carboxamide
CID 46901543
7-(4-Methylpiperazin-1-Yl)-4-[(5-Methyl-1h-Pyrazol-3-Yl)amino]-2-(Propan-2-Yl)phthalazin-1(2h)-One
CID 11545405
2,3-Dihydro-1H-cyclopenta[a]naphthalene-2-carboxylic acid [5-(2-ethyl-pyridin-4-yl)-1H-pyrazol-3-yl]-amide
CID 9907999
Phenyl-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
CID 10499712
2,3-Dihydro-1H-cyclopenta[a]naphthalene-2-carboxylic acid (5-pyridin-4-yl-1H-pyrazol-3-yl)-amide
CID 10970274
Pyridine-2-carboxylic acid (2,5-diphenyl-2H-pyrazol-3-yl)-amide
CID 11405070
4-(1H-pyrazol-3-ylamino)-2-p-tolylphthalazin-1(2H)-one
CID 11500669
N-benzyl-3-[(4-methyl-3-pyridin-4-yl-1H-pyrazol-5-yl)methylamino]benzamide
CID 11502159
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

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(pyridin-3-ylmethyl)phthalazin-1-one?
The IUPAC name of 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(pyridin-3-ylmethyl)phthalazin-1-one (CID 11716968) is 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(pyridin-3-ylmethyl)phthalazin-1-one.
What is the SMILES notation for 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(pyridin-3-ylmethyl)phthalazin-1-one?
The canonical SMILES for 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(pyridin-3-ylmethyl)phthalazin-1-one is Cc1cc(Nc2nn(Cc3cccnc3)c(=O)c3ccccc23)n[nH]1.
What is the InChIKey of 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(pyridin-3-ylmethyl)phthalazin-1-one?
The InChIKey is NFSIWQPFIWGRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O/c1-12-9-16(22-21-12)20-17-14-6-2-3-7-15(14)18(25)24(23-17)11-13-5-4-8-19-10-13/h2-10H,11H2,1H3,(H2,20,21,22,23).
What are the key properties of 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(pyridin-3-ylmethyl)phthalazin-1-one?
4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(pyridin-3-ylmethyl)phthalazin-1-one has a molecular weight of 332.37 g/mol, XLogP of 2.61, 4 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-(pyridin-3-ylmethyl)phthalazin-1-one is sourced from PubChem (CID 11716968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).