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

C15H17N5O — CID 21106477

IUPAC4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-propan-2-ylphthalazin-1-one
SMILESCc1cc(Nc2nn(C(C)C)c(=O)c3ccccc23)n[nH]1
InChIInChI=1S/C15H17N5O/c1-9(2)20-15(21)12-7-5-4-6-11(12)14(19-20)16-13-8-10(3)17-18-13/h4-9H,1-3H3,(H2,16,17,18,19)
InChIKeyRWGFZZRNLKELRN-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.75
Rot. Bonds3

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

4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-propan-2-ylphthalazin-1-one (PubChem CID 21106477) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-propan-2-ylphthalazin-1-one.

Molecular Properties

Compound Name4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-propan-2-ylphthalazin-1-one
PubChem CID21106477
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC Name4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-propan-2-ylphthalazin-1-one
SMILESCc1cc(Nc2nn(C(C)C)c(=O)c3ccccc23)n[nH]1
InChIInChI=1S/C15H17N5O/c1-9(2)20-15(21)12-7-5-4-6-11(12)14(19-20)16-13-8-10(3)17-18-13/h4-9H,1-3H3,(H2,16,17,18,19)
InChIKeyRWGFZZRNLKELRN-UHFFFAOYSA-N
XLogP2.75
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-propan-2-ylphthalazin-1-one?
The IUPAC name of 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-propan-2-ylphthalazin-1-one (CID 21106477) is 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-propan-2-ylphthalazin-1-one.
What is the SMILES notation for 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-propan-2-ylphthalazin-1-one?
The canonical SMILES for 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-propan-2-ylphthalazin-1-one is Cc1cc(Nc2nn(C(C)C)c(=O)c3ccccc23)n[nH]1.
What is the InChIKey of 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-propan-2-ylphthalazin-1-one?
The InChIKey is RWGFZZRNLKELRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-9(2)20-15(21)12-7-5-4-6-11(12)14(19-20)16-13-8-10(3)17-18-13/h4-9H,1-3H3,(H2,16,17,18,19).
What are the key properties of 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-propan-2-ylphthalazin-1-one?
4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-propan-2-ylphthalazin-1-one has a molecular weight of 283.34 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-propan-2-ylphthalazin-1-one is sourced from PubChem (CID 21106477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).