6-(3,5-dimethylpyrazol-1-yl)-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridazin-3-amine

C18H20FN5 — CID 133350408

IUPAC6-(3,5-dimethylpyrazol-1-yl)-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridazin-3-amine
SMILESCc1cc(C)n(-c2ccc(NC(C)c3ccc(C)c(F)c3)nn2)n1
InChIInChI=1S/C18H20FN5/c1-11-5-6-15(10-16(11)19)14(4)20-17-7-8-18(22-21-17)24-13(3)9-12(2)23-24/h5-10,14H,1-4H3,(H,20,21)
InChIKeyILWXPTBIBUQXBJ-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.90
Rot. Bonds4

About 6-(3,5-dimethylpyrazol-1-yl)-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridazin-3-amine

6-(3,5-dimethylpyrazol-1-yl)-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridazin-3-amine (PubChem CID 133350408) has the molecular formula C18H20FN5 and a molecular weight of 325.39 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridazin-3-amine
PubChem CID133350408
Molecular FormulaC18H20FN5
Molecular Weight325.39 g/mol
Exact Mass325.17
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridazin-3-amine
SMILESCc1cc(C)n(-c2ccc(NC(C)c3ccc(C)c(F)c3)nn2)n1
InChIInChI=1S/C18H20FN5/c1-11-5-6-15(10-16(11)19)14(4)20-17-7-8-18(22-21-17)24-13(3)9-12(2)23-24/h5-10,14H,1-4H3,(H,20,21)
InChIKeyILWXPTBIBUQXBJ-UHFFFAOYSA-N
XLogP3.90
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-bromophenyl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-amine
CID 112818314
N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-amine
CID 133477637
(2S)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]-3-methylbutanoic acid
CID 120964362
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-5-fluoro-2-methylbenzenesulfonamide
CID 56699508
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-2-fluorobenzamide
CID 16654494
6-[1-(3-fluoro-4-methylphenyl)ethylamino]-N-phenylpyridazine-3-carboxamide
CID 133350267
5-chloro-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-2-methylbenzenesulfonamide
CID 122293202
3-chloro-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-4-fluorobenzenesulfonamide
CID 122293201
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide
CID 16654431
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-3,4-dimethylbenzamide
CID 16654487
2-N-ethyl-4-N-[1-(3-fluoro-4-methylphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 80838128
2,4-dichloro-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-5-methylbenzenesulfonamide
CID 122293208

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridazin-3-amine?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridazin-3-amine (CID 133350408) is 6-(3,5-dimethylpyrazol-1-yl)-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridazin-3-amine.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridazin-3-amine?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridazin-3-amine is Cc1cc(C)n(-c2ccc(NC(C)c3ccc(C)c(F)c3)nn2)n1.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridazin-3-amine?
The InChIKey is ILWXPTBIBUQXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5/c1-11-5-6-15(10-16(11)19)14(4)20-17-7-8-18(22-21-17)24-13(3)9-12(2)23-24/h5-10,14H,1-4H3,(H,20,21).
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridazin-3-amine?
6-(3,5-dimethylpyrazol-1-yl)-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridazin-3-amine has a molecular weight of 325.39 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpyrazol-1-yl)-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridazin-3-amine is sourced from PubChem (CID 133350408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).