5-ethyl-N-[1-(4-fluorophenyl)ethyl]-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide

C19H20FN5O2 — CID 46589301

IUPAC5-ethyl-N-[1-(4-fluorophenyl)ethyl]-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NC(C)c2ccc(F)cc2)cnn1-c1ccc(OC)nn1
InChIInChI=1S/C19H20FN5O2/c1-4-16-15(11-21-25(16)17-9-10-18(27-3)24-23-17)19(26)22-12(2)13-5-7-14(20)8-6-13/h5-12H,4H2,1-3H3,(H,22,26)
InChIKeySAELRRAAGXDCFX-UHFFFAOYSA-N
MW369.40 g/mol
LogP2.86
Rot. Bonds6

About 5-ethyl-N-[1-(4-fluorophenyl)ethyl]-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide

5-ethyl-N-[1-(4-fluorophenyl)ethyl]-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide (PubChem CID 46589301) has the molecular formula C19H20FN5O2 and a molecular weight of 369.40 g/mol. Its IUPAC name is 5-ethyl-N-[1-(4-fluorophenyl)ethyl]-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[1-(4-fluorophenyl)ethyl]-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide
PubChem CID46589301
Molecular FormulaC19H20FN5O2
Molecular Weight369.40 g/mol
Exact Mass369.16
IUPAC Name5-ethyl-N-[1-(4-fluorophenyl)ethyl]-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NC(C)c2ccc(F)cc2)cnn1-c1ccc(OC)nn1
InChIInChI=1S/C19H20FN5O2/c1-4-16-15(11-21-25(16)17-9-10-18(27-3)24-23-17)19(26)22-12(2)13-5-7-14(20)8-6-13/h5-12H,4H2,1-3H3,(H,22,26)
InChIKeySAELRRAAGXDCFX-UHFFFAOYSA-N
XLogP2.86
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-ethyl-1-(6-methoxypyridazin-3-yl)-N-[(2R)-pentan-2-yl]pyrazole-4-carboxamide
CID 31886760
methyl (2S)-2-[[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]propanoate
CID 87040238
5-ethyl-1-(4-fluorophenyl)-N-[1-(4-imidazol-1-ylphenyl)ethyl]pyrazole-4-carboxamide
CID 46589003
N-(3-chloro-4-fluorophenyl)-5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide
CID 31885461
methyl 4-[[5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carbonyl]amino]butanoate
CID 31855775
[5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazol-4-yl]-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methanone
CID 31903299
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide
CID 31908758
N-[1-(4-fluorophenyl)ethyl]-6-methoxypyridine-3-carboxamide
CID 134016008
N-[2-(diethylamino)-3-phenylpropyl]-5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide
CID 46482900
N-[(2S)-1-aminopropan-2-yl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide;hydrochloride
CID 120506558
[5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazol-4-yl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 31857426
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazol-4-yl]methanone
CID 31851380

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[1-(4-fluorophenyl)ethyl]-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide?
The IUPAC name of 5-ethyl-N-[1-(4-fluorophenyl)ethyl]-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide (CID 46589301) is 5-ethyl-N-[1-(4-fluorophenyl)ethyl]-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-N-[1-(4-fluorophenyl)ethyl]-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide?
The canonical SMILES for 5-ethyl-N-[1-(4-fluorophenyl)ethyl]-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide is CCc1c(C(=O)NC(C)c2ccc(F)cc2)cnn1-c1ccc(OC)nn1.
What is the InChIKey of 5-ethyl-N-[1-(4-fluorophenyl)ethyl]-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide?
The InChIKey is SAELRRAAGXDCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O2/c1-4-16-15(11-21-25(16)17-9-10-18(27-3)24-23-17)19(26)22-12(2)13-5-7-14(20)8-6-13/h5-12H,4H2,1-3H3,(H,22,26).
What are the key properties of 5-ethyl-N-[1-(4-fluorophenyl)ethyl]-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide?
5-ethyl-N-[1-(4-fluorophenyl)ethyl]-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide has a molecular weight of 369.40 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[1-(4-fluorophenyl)ethyl]-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 46589301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).