5-chloro-4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]-1H-pyridazin-6-one

C16H16ClN5O — CID 95376853

IUPAC5-chloro-4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]-1H-pyridazin-6-one
SMILESCc1nn(-c2ccccc2)c(C)c1CNc1cn[nH]c(=O)c1Cl
InChIInChI=1S/C16H16ClN5O/c1-10-13(8-18-14-9-19-20-16(23)15(14)17)11(2)22(21-10)12-6-4-3-5-7-12/h3-7,9H,8H2,1-2H3,(H2,18,20,23)
InChIKeyNRIHYBICBYQMJT-UHFFFAOYSA-N
MW329.79 g/mol
LogP2.84
Rot. Bonds4

About 5-chloro-4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]-1H-pyridazin-6-one

5-chloro-4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]-1H-pyridazin-6-one (PubChem CID 95376853) has the molecular formula C16H16ClN5O and a molecular weight of 329.79 g/mol. Its IUPAC name is 5-chloro-4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]-1H-pyridazin-6-one
PubChem CID95376853
Molecular FormulaC16H16ClN5O
Molecular Weight329.79 g/mol
Exact Mass329.10
IUPAC Name5-chloro-4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]-1H-pyridazin-6-one
SMILESCc1nn(-c2ccccc2)c(C)c1CNc1cn[nH]c(=O)c1Cl
InChIInChI=1S/C16H16ClN5O/c1-10-13(8-18-14-9-19-20-16(23)15(14)17)11(2)22(21-10)12-6-4-3-5-7-12/h3-7,9H,8H2,1-2H3,(H2,18,20,23)
InChIKeyNRIHYBICBYQMJT-UHFFFAOYSA-N
XLogP2.84
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-4-[(6-methyl-3-pyridinyl)methylamino]-1H-pyridazin-6-one
CID 112730959
2,6-dichloro-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 9191229
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
CID 60979174
4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]-3-methylsulfonylbenzenesulfonamide
CID 56578933
6-chloro-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyridine-3-sulfonamide
CID 9191231
5-chloro-4-(3-phenylbutylamino)-1H-pyridazin-6-one
CID 78990669
1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]urea
CID 78879963
2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]ethanol
CID 43406566
4-[(2-amino-2-phenylethyl)amino]-5-chloro-1H-pyridazin-6-one
CID 80747062
5-chloro-4-[(4-methylthiophen-3-yl)methylamino]-1H-pyridazin-6-one
CID 80747448
5-chloro-4-[[2-(dimethylamino)quinolin-4-yl]methylamino]-1H-pyridazin-6-one
CID 133327918
5-chloro-4-[(4-fluoro-3-methylphenyl)methylamino]-1H-pyridazin-6-one
CID 46682264

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]-1H-pyridazin-6-one (CID 95376853) is 5-chloro-4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]-1H-pyridazin-6-one is Cc1nn(-c2ccccc2)c(C)c1CNc1cn[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]-1H-pyridazin-6-one?
The InChIKey is NRIHYBICBYQMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O/c1-10-13(8-18-14-9-19-20-16(23)15(14)17)11(2)22(21-10)12-6-4-3-5-7-12/h3-7,9H,8H2,1-2H3,(H2,18,20,23).
What are the key properties of 5-chloro-4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]-1H-pyridazin-6-one?
5-chloro-4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]-1H-pyridazin-6-one has a molecular weight of 329.79 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]-1H-pyridazin-6-one is sourced from PubChem (CID 95376853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).