1-(4-fluorophenyl)-N-[1-(furan-2-yl)ethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide

C20H20FN3O2 — CID 16597767

IUPAC1-(4-fluorophenyl)-N-[1-(furan-2-yl)ethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCC(NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2)c1ccco1
InChIInChI=1S/C20H20FN3O2/c1-13(18-7-4-12-26-18)22-20(25)19-16-5-2-3-6-17(16)24(23-19)15-10-8-14(21)9-11-15/h4,7-13H,2-3,5-6H2,1H3,(H,22,25)
InChIKeyAZTVUONDTMFNSJ-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.97
Rot. Bonds4

About 1-(4-fluorophenyl)-N-[1-(furan-2-yl)ethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide

1-(4-fluorophenyl)-N-[1-(furan-2-yl)ethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 16597767) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[1-(furan-2-yl)ethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[1-(furan-2-yl)ethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID16597767
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC Name1-(4-fluorophenyl)-N-[1-(furan-2-yl)ethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCC(NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2)c1ccco1
InChIInChI=1S/C20H20FN3O2/c1-13(18-7-4-12-26-18)22-20(25)19-16-5-2-3-6-17(16)24(23-19)15-10-8-14(21)9-11-15/h4,7-13H,2-3,5-6H2,1H3,(H,22,25)
InChIKeyAZTVUONDTMFNSJ-UHFFFAOYSA-N
XLogP3.97
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-N-[(1R)-1-(2-methylphenyl)ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 25495208
N-[1-(4-fluorophenyl)ethyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 42929735
1-(4-fluorophenyl)-N-[(1R)-1-pyridin-4-ylethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 30480120
1-(4-fluorophenyl)-N-[2-(furan-2-yl)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 24605231
N-tert-butyl-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 134036515
1-(4-fluorophenyl)-N-(1-methoxypropan-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 24639520
1-(4-fluorophenyl)-N-pentan-3-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 17499040
1-(4-fluorophenyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 47017376
1-phenyl-N-propan-2-yl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 110374225
N-(2,6-dimethylphenyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 17442022
N-(3-hydroxybutan-2-yl)-1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 146126250
N-[(1R)-1-(3,4-difluorophenyl)ethyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 25491200

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[1-(furan-2-yl)ethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[1-(furan-2-yl)ethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 16597767) is 1-(4-fluorophenyl)-N-[1-(furan-2-yl)ethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[1-(furan-2-yl)ethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[1-(furan-2-yl)ethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide is CC(NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2)c1ccco1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[1-(furan-2-yl)ethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is AZTVUONDTMFNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-13(18-7-4-12-26-18)22-20(25)19-16-5-2-3-6-17(16)24(23-19)15-10-8-14(21)9-11-15/h4,7-13H,2-3,5-6H2,1H3,(H,22,25).
What are the key properties of 1-(4-fluorophenyl)-N-[1-(furan-2-yl)ethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
1-(4-fluorophenyl)-N-[1-(furan-2-yl)ethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 353.40 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[1-(furan-2-yl)ethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 16597767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).