N-(3-chloro-4-fluorophenyl)-6-(3,5-dimethylpyrazol-1-yl)-4-methylpyridazin-3-amine

C16H15ClFN5 — CID 166633436

IUPACN-(3-chloro-4-fluorophenyl)-6-(3,5-dimethylpyrazol-1-yl)-4-methylpyridazin-3-amine
SMILESCc1cc(C)n(-c2cc(C)c(Nc3ccc(F)c(Cl)c3)nn2)n1
InChIInChI=1S/C16H15ClFN5/c1-9-6-15(23-11(3)7-10(2)22-23)20-21-16(9)19-12-4-5-14(18)13(17)8-12/h4-8H,1-3H3,(H,19,21)
InChIKeyXIXDCZSXBCBMFJ-UHFFFAOYSA-N
MW331.78 g/mol
LogP4.12
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-6-(3,5-dimethylpyrazol-1-yl)-4-methylpyridazin-3-amine

N-(3-chloro-4-fluorophenyl)-6-(3,5-dimethylpyrazol-1-yl)-4-methylpyridazin-3-amine (PubChem CID 166633436) has the molecular formula C16H15ClFN5 and a molecular weight of 331.78 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-6-(3,5-dimethylpyrazol-1-yl)-4-methylpyridazin-3-amine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-6-(3,5-dimethylpyrazol-1-yl)-4-methylpyridazin-3-amine
PubChem CID166633436
Molecular FormulaC16H15ClFN5
Molecular Weight331.78 g/mol
Exact Mass331.10
IUPAC NameN-(3-chloro-4-fluorophenyl)-6-(3,5-dimethylpyrazol-1-yl)-4-methylpyridazin-3-amine
SMILESCc1cc(C)n(-c2cc(C)c(Nc3ccc(F)c(Cl)c3)nn2)n1
InChIInChI=1S/C16H15ClFN5/c1-9-6-15(23-11(3)7-10(2)22-23)20-21-16(9)19-12-4-5-14(18)13(17)8-12/h4-8H,1-3H3,(H,19,21)
InChIKeyXIXDCZSXBCBMFJ-UHFFFAOYSA-N
XLogP4.12
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.78
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-Chlorophenyl)-1-phenyl-1H-pyrazol-5-amine
CID 2769585
N-(3-chloro-4-methylphenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 8741335
N-(3-chlorophenyl)-N'-(3-methyl-1-phenyl-1H-pyrazol-5-yl)urea
CID 2815115
4-fluoro-N-methyl-N'-(3-methyl-1-phenyl-1H-pyrazol-5-yl)benzene-1-carboximidamide
CID 2322836
1-(3-chlorophenyl)-3-methyl-1H-pyrazol-5-amine
CID 1810630
N-(1-(4-chlorophenyl)-3-methyl-1H-pyrazol-5-yl)-1-phenyl-1H-tetrazol-5-amine
CID 2033394
2-fluoro-N'-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide
CID 3550085
N-(3-chloro-4-fluorophenyl)-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 15990007
KCa2 channel modulator 1
CID 16800218
N-(3-chlorophenyl)-2-(1,1-difluoroethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 51347854
N-(5-Chloro-2-fluorophenyl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-methylpyrimidin-4-amine
CID 163196286
2-(3-chlorophenyl)-5-methyl-N-phenylpyrazol-3-amine
CID 2356925

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-6-(3,5-dimethylpyrazol-1-yl)-4-methylpyridazin-3-amine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-6-(3,5-dimethylpyrazol-1-yl)-4-methylpyridazin-3-amine (CID 166633436) is N-(3-chloro-4-fluorophenyl)-6-(3,5-dimethylpyrazol-1-yl)-4-methylpyridazin-3-amine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-6-(3,5-dimethylpyrazol-1-yl)-4-methylpyridazin-3-amine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-6-(3,5-dimethylpyrazol-1-yl)-4-methylpyridazin-3-amine is Cc1cc(C)n(-c2cc(C)c(Nc3ccc(F)c(Cl)c3)nn2)n1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-6-(3,5-dimethylpyrazol-1-yl)-4-methylpyridazin-3-amine?
The InChIKey is XIXDCZSXBCBMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN5/c1-9-6-15(23-11(3)7-10(2)22-23)20-21-16(9)19-12-4-5-14(18)13(17)8-12/h4-8H,1-3H3,(H,19,21).
What are the key properties of N-(3-chloro-4-fluorophenyl)-6-(3,5-dimethylpyrazol-1-yl)-4-methylpyridazin-3-amine?
N-(3-chloro-4-fluorophenyl)-6-(3,5-dimethylpyrazol-1-yl)-4-methylpyridazin-3-amine has a molecular weight of 331.78 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-6-(3,5-dimethylpyrazol-1-yl)-4-methylpyridazin-3-amine is sourced from PubChem (CID 166633436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).