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

C12H11N5O — CID 21106541

IUPAC4-[(5-methyl-1H-pyrazol-3-yl)amino]-2H-phthalazin-1-one
SMILESCc1cc(Nc2n[nH]c(=O)c3ccccc23)n[nH]1
InChIInChI=1S/C12H11N5O/c1-7-6-10(15-14-7)13-11-8-4-2-3-5-9(8)12(18)17-16-11/h2-6H,1H3,(H,17,18)(H2,13,14,15,16)
InChIKeyQDLIVRGLOOIUNG-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.70
Rot. Bonds2

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

4-[(5-methyl-1H-pyrazol-3-yl)amino]-2H-phthalazin-1-one (PubChem CID 21106541) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-[(5-methyl-1H-pyrazol-3-yl)amino]-2H-phthalazin-1-one
PubChem CID21106541
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC Name4-[(5-methyl-1H-pyrazol-3-yl)amino]-2H-phthalazin-1-one
SMILESCc1cc(Nc2n[nH]c(=O)c3ccccc23)n[nH]1
InChIInChI=1S/C12H11N5O/c1-7-6-10(15-14-7)13-11-8-4-2-3-5-9(8)12(18)17-16-11/h2-6H,1H3,(H,17,18)(H2,13,14,15,16)
InChIKeyQDLIVRGLOOIUNG-UHFFFAOYSA-N
XLogP1.70
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2H-phthalazin-1-one?
The IUPAC name of 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2H-phthalazin-1-one (CID 21106541) is 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2H-phthalazin-1-one.
What is the SMILES notation for 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2H-phthalazin-1-one?
The canonical SMILES for 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2H-phthalazin-1-one is Cc1cc(Nc2n[nH]c(=O)c3ccccc23)n[nH]1.
What is the InChIKey of 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2H-phthalazin-1-one?
The InChIKey is QDLIVRGLOOIUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O/c1-7-6-10(15-14-7)13-11-8-4-2-3-5-9(8)12(18)17-16-11/h2-6H,1H3,(H,17,18)(H2,13,14,15,16).
What are the key properties of 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2H-phthalazin-1-one?
4-[(5-methyl-1H-pyrazol-3-yl)amino]-2H-phthalazin-1-one has a molecular weight of 241.25 g/mol, XLogP of 1.70, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2H-phthalazin-1-one is sourced from PubChem (CID 21106541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).