5-(4-fluorophenyl)-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide

C17H16FN3O2 — CID 37393794

IUPAC5-(4-fluorophenyl)-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide
SMILESO=C(NCCCn1cccn1)c1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C17H16FN3O2/c18-14-5-3-13(4-6-14)15-7-8-16(23-15)17(22)19-9-1-11-21-12-2-10-20-21/h2-8,10,12H,1,9,11H2,(H,19,22)
InChIKeyQEXVNOCARZUFAS-UHFFFAOYSA-N
MW313.33 g/mol
LogP3.10
Rot. Bonds6

About 5-(4-fluorophenyl)-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide

5-(4-fluorophenyl)-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide (PubChem CID 37393794) has the molecular formula C17H16FN3O2 and a molecular weight of 313.33 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide
PubChem CID37393794
Molecular FormulaC17H16FN3O2
Molecular Weight313.33 g/mol
Exact Mass313.12
IUPAC Name5-(4-fluorophenyl)-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide
SMILESO=C(NCCCn1cccn1)c1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C17H16FN3O2/c18-14-5-3-13(4-6-14)15-7-8-16(23-15)17(22)19-9-1-11-21-12-2-10-20-21/h2-8,10,12H,1,9,11H2,(H,19,22)
InChIKeyQEXVNOCARZUFAS-UHFFFAOYSA-N
XLogP3.10
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-methyl-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide
CID 37394680
N-(3-pyrazol-1-ylpropyl)-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide
CID 19332332
2-bromo-5-fluoro-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37393425
1-(4-fluorophenyl)-N-(3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide
CID 37392369
methyl 3-[[5-(4-fluorophenyl)furan-2-carbonyl]amino]propanoate
CID 37351586
3-(4-fluorophenyl)-N-(3-pyrazol-1-ylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19493513
3-(4-methylphenyl)-N-(3-pyrazol-1-ylpropyl)-1H-pyrazole-5-carboxamide
CID 19513164
N-[(4-fluorophenyl)methyl]-4-pyrazol-1-ylbutan-1-amine
CID 155449267
N-(3-pyrazol-1-ylpropyl)pyridine-4-carboxamide
CID 35285072
3-(4-methoxyphenyl)-N-(3-pyrazol-1-ylpropyl)-1H-pyrazole-5-carboxamide
CID 19508977
N-butyl-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 19463195
N-(2-amino-2-ethylbutyl)-5-(4-fluorophenyl)furan-2-carboxamide;hydrochloride
CID 119643079

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide (CID 37393794) is 5-(4-fluorophenyl)-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide is O=C(NCCCn1cccn1)c1ccc(-c2ccc(F)cc2)o1.
What is the InChIKey of 5-(4-fluorophenyl)-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide?
The InChIKey is QEXVNOCARZUFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2/c18-14-5-3-13(4-6-14)15-7-8-16(23-15)17(22)19-9-1-11-21-12-2-10-20-21/h2-8,10,12H,1,9,11H2,(H,19,22).
What are the key properties of 5-(4-fluorophenyl)-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide?
5-(4-fluorophenyl)-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide has a molecular weight of 313.33 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide is sourced from PubChem (CID 37393794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).