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

C17H16N6OS — CID 11653244

IUPAC4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[(2-methyl-1,3-thiazol-4-yl)methyl]phthalazin-1-one
SMILESCc1cc(Nc2nn(Cc3csc(C)n3)c(=O)c3ccccc23)n[nH]1
InChIInChI=1S/C17H16N6OS/c1-10-7-15(21-20-10)19-16-13-5-3-4-6-14(13)17(24)23(22-16)8-12-9-25-11(2)18-12/h3-7,9H,8H2,1-2H3,(H2,19,20,21,22)
InChIKeyNXDNERZXWCKICJ-UHFFFAOYSA-N
MW352.42 g/mol
LogP2.98
Rot. Bonds4

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

4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[(2-methyl-1,3-thiazol-4-yl)methyl]phthalazin-1-one (PubChem CID 11653244) has the molecular formula C17H16N6OS and a molecular weight of 352.42 g/mol. Its IUPAC name is 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[(2-methyl-1,3-thiazol-4-yl)methyl]phthalazin-1-one.

Molecular Properties

Compound Name4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[(2-methyl-1,3-thiazol-4-yl)methyl]phthalazin-1-one
PubChem CID11653244
Molecular FormulaC17H16N6OS
Molecular Weight352.42 g/mol
Exact Mass352.11
IUPAC Name4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[(2-methyl-1,3-thiazol-4-yl)methyl]phthalazin-1-one
SMILESCc1cc(Nc2nn(Cc3csc(C)n3)c(=O)c3ccccc23)n[nH]1
InChIInChI=1S/C17H16N6OS/c1-10-7-15(21-20-10)19-16-13-5-3-4-6-14(13)17(24)23(22-16)8-12-9-25-11(2)18-12/h3-7,9H,8H2,1-2H3,(H2,19,20,21,22)
InChIKeyNXDNERZXWCKICJ-UHFFFAOYSA-N
XLogP2.98
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[(2-methyl-1,3-thiazol-4-yl)methyl]phthalazin-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[(2-methyl-1,3-thiazol-4-yl)methyl]phthalazin-1-one?
The IUPAC name of 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[(2-methyl-1,3-thiazol-4-yl)methyl]phthalazin-1-one (CID 11653244) is 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[(2-methyl-1,3-thiazol-4-yl)methyl]phthalazin-1-one.
What is the SMILES notation for 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[(2-methyl-1,3-thiazol-4-yl)methyl]phthalazin-1-one?
The canonical SMILES for 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[(2-methyl-1,3-thiazol-4-yl)methyl]phthalazin-1-one is Cc1cc(Nc2nn(Cc3csc(C)n3)c(=O)c3ccccc23)n[nH]1.
What is the InChIKey of 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[(2-methyl-1,3-thiazol-4-yl)methyl]phthalazin-1-one?
The InChIKey is NXDNERZXWCKICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6OS/c1-10-7-15(21-20-10)19-16-13-5-3-4-6-14(13)17(24)23(22-16)8-12-9-25-11(2)18-12/h3-7,9H,8H2,1-2H3,(H2,19,20,21,22).
What are the key properties of 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[(2-methyl-1,3-thiazol-4-yl)methyl]phthalazin-1-one?
4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[(2-methyl-1,3-thiazol-4-yl)methyl]phthalazin-1-one has a molecular weight of 352.42 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[(2-methyl-1,3-thiazol-4-yl)methyl]phthalazin-1-one is sourced from PubChem (CID 11653244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).