1-(5-ethynyl-2-fluorophenyl)-4,6-dihydrofuro[3,4-d]pyrazole-3-carboxamide

C14H10FN3O2 — CID 144793009

IUPAC1-(5-ethynyl-2-fluorophenyl)-4,6-dihydrofuro[3,4-d]pyrazole-3-carboxamide
SMILESC#Cc1ccc(F)c(-n2nc(C(N)=O)c3c2COC3)c1
InChIInChI=1S/C14H10FN3O2/c1-2-8-3-4-10(15)11(5-8)18-12-7-20-6-9(12)13(17-18)14(16)19/h1,3-5H,6-7H2,(H2,16,19)
InChIKeyVYNHJOAFTZSKFA-UHFFFAOYSA-N
MW271.25 g/mol
LogP1.12
Rot. Bonds2

About 1-(5-ethynyl-2-fluorophenyl)-4,6-dihydrofuro[3,4-d]pyrazole-3-carboxamide

1-(5-ethynyl-2-fluorophenyl)-4,6-dihydrofuro[3,4-d]pyrazole-3-carboxamide (PubChem CID 144793009) has the molecular formula C14H10FN3O2 and a molecular weight of 271.25 g/mol. Its IUPAC name is 1-(5-ethynyl-2-fluorophenyl)-4,6-dihydrofuro[3,4-d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(5-ethynyl-2-fluorophenyl)-4,6-dihydrofuro[3,4-d]pyrazole-3-carboxamide
PubChem CID144793009
Molecular FormulaC14H10FN3O2
Molecular Weight271.25 g/mol
Exact Mass271.08
IUPAC Name1-(5-ethynyl-2-fluorophenyl)-4,6-dihydrofuro[3,4-d]pyrazole-3-carboxamide
SMILESC#Cc1ccc(F)c(-n2nc(C(N)=O)c3c2COC3)c1
InChIInChI=1S/C14H10FN3O2/c1-2-8-3-4-10(15)11(5-8)18-12-7-20-6-9(12)13(17-18)14(16)19/h1,3-5H,6-7H2,(H2,16,19)
InChIKeyVYNHJOAFTZSKFA-UHFFFAOYSA-N
XLogP1.12
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(5-ethynyl-2-fluorophenyl)-4,6-dihydrofuro[3,4-d]pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-ethynylphenyl)-5,5-difluoro-4,6-dihydrocyclopenta[d]pyrazole-3-carboxamide
CID 144793261
1-(2,5-difluorophenyl)-4-oxo-6,7-dihydro-5H-indazole-3-carboxamide
CID 82591104
(6R)-5-(1,1-difluoroethyl)-1-(3-ethynylphenyl)-6-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 144793496
1-(2-fluoro-5-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid
CID 28974111
ethyl 1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4,6-dihydrofuro[3,4-d]pyrazole-3-carboxylate;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4,6-dihydrofuro[3,4-d]pyrazole-3-carboxamide
CID 158851091
1-(4-chloro-3-fluorophenyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboxylic acid
CID 61470330
2-[(5-ethynyl-2-fluorophenyl)methylideneamino]guanidine
CID 168591367
1-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-ethynylindazole-3-carboxamide
CID 142760019
N-(3-ethynylphenyl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 18147874
1-[(3,4-difluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 82588556
4-[1-(2-fluoro-5-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]morpholine-2-carboxylic acid
CID 122107865
4-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]morpholine-2-carboxamide
CID 49417558

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethynyl-2-fluorophenyl)-4,6-dihydrofuro[3,4-d]pyrazole-3-carboxamide?
The IUPAC name of 1-(5-ethynyl-2-fluorophenyl)-4,6-dihydrofuro[3,4-d]pyrazole-3-carboxamide (CID 144793009) is 1-(5-ethynyl-2-fluorophenyl)-4,6-dihydrofuro[3,4-d]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(5-ethynyl-2-fluorophenyl)-4,6-dihydrofuro[3,4-d]pyrazole-3-carboxamide?
The canonical SMILES for 1-(5-ethynyl-2-fluorophenyl)-4,6-dihydrofuro[3,4-d]pyrazole-3-carboxamide is C#Cc1ccc(F)c(-n2nc(C(N)=O)c3c2COC3)c1.
What is the InChIKey of 1-(5-ethynyl-2-fluorophenyl)-4,6-dihydrofuro[3,4-d]pyrazole-3-carboxamide?
The InChIKey is VYNHJOAFTZSKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O2/c1-2-8-3-4-10(15)11(5-8)18-12-7-20-6-9(12)13(17-18)14(16)19/h1,3-5H,6-7H2,(H2,16,19).
What are the key properties of 1-(5-ethynyl-2-fluorophenyl)-4,6-dihydrofuro[3,4-d]pyrazole-3-carboxamide?
1-(5-ethynyl-2-fluorophenyl)-4,6-dihydrofuro[3,4-d]pyrazole-3-carboxamide has a molecular weight of 271.25 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethynyl-2-fluorophenyl)-4,6-dihydrofuro[3,4-d]pyrazole-3-carboxamide is sourced from PubChem (CID 144793009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).