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

C15H17N5O2 — CID 135399658

IUPAC7-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-propan-2-ylphthalazin-1-one
SMILESCc1cc(Nc2nn(C(C)C)c(=O)c3cc(O)ccc23)n[nH]1
InChIInChI=1S/C15H17N5O2/c1-8(2)20-15(22)12-7-10(21)4-5-11(12)14(19-20)16-13-6-9(3)17-18-13/h4-8,21H,1-3H3,(H2,16,17,18,19)
InChIKeyDCYWTIDCLZTFNS-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.46
Rot. Bonds3

About 7-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-propan-2-ylphthalazin-1-one

7-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-propan-2-ylphthalazin-1-one (PubChem CID 135399658) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 7-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-propan-2-ylphthalazin-1-one.

Molecular Properties

Compound Name7-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-propan-2-ylphthalazin-1-one
PubChem CID135399658
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name7-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-propan-2-ylphthalazin-1-one
SMILESCc1cc(Nc2nn(C(C)C)c(=O)c3cc(O)ccc23)n[nH]1
InChIInChI=1S/C15H17N5O2/c1-8(2)20-15(22)12-7-10(21)4-5-11(12)14(19-20)16-13-6-9(3)17-18-13/h4-8,21H,1-3H3,(H2,16,17,18,19)
InChIKeyDCYWTIDCLZTFNS-UHFFFAOYSA-N
XLogP2.46
TPSA95.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-propan-2-ylphthalazin-1-one?
The IUPAC name of 7-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-propan-2-ylphthalazin-1-one (CID 135399658) is 7-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-propan-2-ylphthalazin-1-one.
What is the SMILES notation for 7-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-propan-2-ylphthalazin-1-one?
The canonical SMILES for 7-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-propan-2-ylphthalazin-1-one is Cc1cc(Nc2nn(C(C)C)c(=O)c3cc(O)ccc23)n[nH]1.
What is the InChIKey of 7-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-propan-2-ylphthalazin-1-one?
The InChIKey is DCYWTIDCLZTFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-8(2)20-15(22)12-7-10(21)4-5-11(12)14(19-20)16-13-6-9(3)17-18-13/h4-8,21H,1-3H3,(H2,16,17,18,19).
What are the key properties of 7-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-propan-2-ylphthalazin-1-one?
7-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-propan-2-ylphthalazin-1-one has a molecular weight of 299.33 g/mol, XLogP of 2.46, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-propan-2-ylphthalazin-1-one is sourced from PubChem (CID 135399658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).