1-(4-chloro-3-fluorophenyl)-2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethanol

C16H15ClFN5O — CID 133412013

IUPAC1-(4-chloro-3-fluorophenyl)-2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethanol
SMILESCc1ccn(-c2ccc(NCC(O)c3ccc(Cl)c(F)c3)nn2)n1
InChIInChI=1S/C16H15ClFN5O/c1-10-6-7-23(22-10)16-5-4-15(20-21-16)19-9-14(24)11-2-3-12(17)13(18)8-11/h2-8,14,24H,9H2,1H3,(H,19,20)
InChIKeyPONQVGAAIDDBSV-UHFFFAOYSA-N
MW347.78 g/mol
LogP2.91
Rot. Bonds5

About 1-(4-chloro-3-fluorophenyl)-2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethanol

1-(4-chloro-3-fluorophenyl)-2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethanol (PubChem CID 133412013) has the molecular formula C16H15ClFN5O and a molecular weight of 347.78 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethanol.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethanol
PubChem CID133412013
Molecular FormulaC16H15ClFN5O
Molecular Weight347.78 g/mol
Exact Mass347.09
IUPAC Name1-(4-chloro-3-fluorophenyl)-2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethanol
SMILESCc1ccn(-c2ccc(NCC(O)c3ccc(Cl)c(F)c3)nn2)n1
InChIInChI=1S/C16H15ClFN5O/c1-10-6-7-23(22-10)16-5-4-15(20-21-16)19-9-14(24)11-2-3-12(17)13(18)8-11/h2-8,14,24H,9H2,1H3,(H,19,20)
InChIKeyPONQVGAAIDDBSV-UHFFFAOYSA-N
XLogP2.91
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.78
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(4-chloro-3-fluorophenyl)-2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethanol with MolForge

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Related Compounds

1-(4-chloro-3-fluorophenyl)-2-[(4-methylpyrimidin-2-yl)amino]ethanol
CID 133411967
1-(4-chloro-3-fluorophenyl)-2-[(6-fluoro-2-pyridinyl)amino]ethanol
CID 133411980
1-(4-chloro-3-fluorophenyl)-2-(methylamino)ethanol
CID 62773520
2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]-1-(4-phenylphenyl)ethanol
CID 133477233
1-(4-chloro-3-fluorophenyl)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol
CID 133430857
1-(4-chloro-3-fluorophenyl)-2-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]ethanol
CID 133411946
6-[[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]-N-prop-2-ynylpyridine-3-carboxamide
CID 133430962
2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]-1-(4-chloro-3-fluorophenyl)ethanol
CID 133430921
(1S)-1-(4-chloro-3-fluorophenyl)ethane-1,2-diol
CID 97286939
(1S)-1-[3-fluoro-4-(3-methylpyrazol-1-yl)phenyl]ethanol
CID 78941388
N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-3-phenylpropanamide
CID 122327087
1-(4-chloro-3-fluorophenyl)-2-(2-methyl-4-nitroanilino)ethanol
CID 133430931

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethanol?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethanol (CID 133412013) is 1-(4-chloro-3-fluorophenyl)-2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethanol.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethanol?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethanol is Cc1ccn(-c2ccc(NCC(O)c3ccc(Cl)c(F)c3)nn2)n1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethanol?
The InChIKey is PONQVGAAIDDBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN5O/c1-10-6-7-23(22-10)16-5-4-15(20-21-16)19-9-14(24)11-2-3-12(17)13(18)8-11/h2-8,14,24H,9H2,1H3,(H,19,20).
What are the key properties of 1-(4-chloro-3-fluorophenyl)-2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethanol?
1-(4-chloro-3-fluorophenyl)-2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethanol has a molecular weight of 347.78 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethanol is sourced from PubChem (CID 133412013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).