3-(3-ethoxyphenyl)-N-[1-(4-fluorophenyl)ethylideneamino]-1H-pyrazole-5-carboxamide

C20H19FN4O2 — CID 5081430

IUPAC3-(3-ethoxyphenyl)-N-[1-(4-fluorophenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
SMILESCCOc1cccc(-c2cc(C(=O)NN=C(C)c3ccc(F)cc3)[nH]n2)c1
InChIInChI=1S/C20H19FN4O2/c1-3-27-17-6-4-5-15(11-17)18-12-19(24-23-18)20(26)25-22-13(2)14-7-9-16(21)10-8-14/h4-12H,3H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyBDINXBJJAJEPSK-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.77
Rot. Bonds6

About 3-(3-ethoxyphenyl)-N-[1-(4-fluorophenyl)ethylideneamino]-1H-pyrazole-5-carboxamide

3-(3-ethoxyphenyl)-N-[1-(4-fluorophenyl)ethylideneamino]-1H-pyrazole-5-carboxamide (PubChem CID 5081430) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is 3-(3-ethoxyphenyl)-N-[1-(4-fluorophenyl)ethylideneamino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(3-ethoxyphenyl)-N-[1-(4-fluorophenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
PubChem CID5081430
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC Name3-(3-ethoxyphenyl)-N-[1-(4-fluorophenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
SMILESCCOc1cccc(-c2cc(C(=O)NN=C(C)c3ccc(F)cc3)[nH]n2)c1
InChIInChI=1S/C20H19FN4O2/c1-3-27-17-6-4-5-15(11-17)18-12-19(24-23-18)20(26)25-22-13(2)14-7-9-16(21)10-8-14/h4-12H,3H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyBDINXBJJAJEPSK-UHFFFAOYSA-N
XLogP3.77
TPSA79.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(3-phenylmethoxyphenyl)-N-[1-(4-phenylphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 3578463
3-(3-ethoxyphenyl)-N-[(E)-1-(furan-2-yl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 5399799
3-(4-ethoxyphenyl)-N-[1-(4-methylphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 4102387
3-(4-ethoxyphenyl)-N-(1-phenylethylideneamino)-1H-pyrazole-5-carboxamide
CID 687657
3-(4-fluorophenyl)-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 6382712
3-(4-fluorophenyl)-N-[1-(3-methoxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 3879162
3-(4-fluorophenyl)-N-[(Z)-1-phenylethylideneamino]-1H-pyrazole-5-carboxamide
CID 6143430
N-[1-(4-ethoxyphenyl)ethylideneamino]-4-fluorobenzamide
CID 3617176
3-(4-ethylphenyl)-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 6044027
3-(4-fluorophenyl)-N-(1-naphthalen-2-ylethylideneamino)-1H-pyrazole-5-carboxamide
CID 1185508
N-[(Z)-1-(4-methylphenyl)ethylideneamino]-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide
CID 6116965
3-(3-nitrophenyl)-N-[1-(4-phenylphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 3778659

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxyphenyl)-N-[1-(4-fluorophenyl)ethylideneamino]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(3-ethoxyphenyl)-N-[1-(4-fluorophenyl)ethylideneamino]-1H-pyrazole-5-carboxamide (CID 5081430) is 3-(3-ethoxyphenyl)-N-[1-(4-fluorophenyl)ethylideneamino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(3-ethoxyphenyl)-N-[1-(4-fluorophenyl)ethylideneamino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(3-ethoxyphenyl)-N-[1-(4-fluorophenyl)ethylideneamino]-1H-pyrazole-5-carboxamide is CCOc1cccc(-c2cc(C(=O)NN=C(C)c3ccc(F)cc3)[nH]n2)c1.
What is the InChIKey of 3-(3-ethoxyphenyl)-N-[1-(4-fluorophenyl)ethylideneamino]-1H-pyrazole-5-carboxamide?
The InChIKey is BDINXBJJAJEPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c1-3-27-17-6-4-5-15(11-17)18-12-19(24-23-18)20(26)25-22-13(2)14-7-9-16(21)10-8-14/h4-12H,3H2,1-2H3,(H,23,24)(H,25,26).
What are the key properties of 3-(3-ethoxyphenyl)-N-[1-(4-fluorophenyl)ethylideneamino]-1H-pyrazole-5-carboxamide?
3-(3-ethoxyphenyl)-N-[1-(4-fluorophenyl)ethylideneamino]-1H-pyrazole-5-carboxamide has a molecular weight of 366.40 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxyphenyl)-N-[1-(4-fluorophenyl)ethylideneamino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 5081430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).