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

C13H13N5O — CID 11658909

IUPAC2-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one
SMILESCc1cc(Nc2nn(C)c(=O)c3ccccc23)n[nH]1
InChIInChI=1S/C13H13N5O/c1-8-7-11(16-15-8)14-12-9-5-3-4-6-10(9)13(19)18(2)17-12/h3-7H,1-2H3,(H2,14,15,16,17)
InChIKeyJFPKFCDTLPRIHM-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.71
Rot. Bonds2

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

2-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one (PubChem CID 11658909) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one.

Molecular Properties

Compound Name2-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one
PubChem CID11658909
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name2-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one
SMILESCc1cc(Nc2nn(C)c(=O)c3ccccc23)n[nH]1
InChIInChI=1S/C13H13N5O/c1-8-7-11(16-15-8)14-12-9-5-3-4-6-10(9)13(19)18(2)17-12/h3-7H,1-2H3,(H2,14,15,16,17)
InChIKeyJFPKFCDTLPRIHM-UHFFFAOYSA-N
XLogP1.71
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-Cyclopropyl-1h-Pyrazol-3-Yl)Benzamide
CID 449088
N-(1-methyl-3-phenylpyrazol-5-yl)benzamide
CID 2814962
(2S)-N-(5-Cyclopropyl-1H-pyrazol-3-yl)-2-[4-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)phenyl]propanamide
CID 5330955
N-(5-Cyclopropyl-1h-Pyrazol-3-Yl)benzene-1,4-Dicarboxamide
CID 5330977
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylacetamide
CID 5330998
4-{[(5-cyclopropyl-1H-pyrazol-3-yl)carbamoyl]methyl}benzamide
CID 5330999
3-Phenylacetamidoaminopyrazole deriv. 39
CID 6538741
4-[(5-Methyl-1h-Pyrazol-3-Yl)amino]-2-Phenylphthalazin-1(2h)-One
CID 11652621
Benzamide, N-(5-methyl-1H-pyrazol-3-yl)-
CID 4247366
N1-(3-phenyl-1H-pyrazol-5-yl)-2-fluorobenzamide
CID 339733
N1-(3-phenyl-1H-pyrazol-5-yl)benzamide
CID 339735
(2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylpropanamide
CID 5330946

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one?
The IUPAC name of 2-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one (CID 11658909) is 2-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one.
What is the SMILES notation for 2-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one?
The canonical SMILES for 2-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one is Cc1cc(Nc2nn(C)c(=O)c3ccccc23)n[nH]1.
What is the InChIKey of 2-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one?
The InChIKey is JFPKFCDTLPRIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-8-7-11(16-15-8)14-12-9-5-3-4-6-10(9)13(19)18(2)17-12/h3-7H,1-2H3,(H2,14,15,16,17).
What are the key properties of 2-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one?
2-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one has a molecular weight of 255.28 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one is sourced from PubChem (CID 11658909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).