N-(5,6-difluoro-1H-indol-3-yl)-5-phenylpyrazolidine-3-carboxamide

C18H16F2N4O — CID 168678351

IUPACN-(5,6-difluoro-1H-indol-3-yl)-5-phenylpyrazolidine-3-carboxamide
SMILESO=C(Nc1c[nH]c2cc(F)c(F)cc12)C1CC(c2ccccc2)NN1
InChIInChI=1S/C18H16F2N4O/c19-12-6-11-15(7-13(12)20)21-9-17(11)22-18(25)16-8-14(23-24-16)10-4-2-1-3-5-10/h1-7,9,14,16,21,23-24H,8H2,(H,22,25)
InChIKeyZVOCWIAFDOILKT-UHFFFAOYSA-N
MW342.35 g/mol
LogP2.99
Rot. Bonds3

About N-(5,6-difluoro-1H-indol-3-yl)-5-phenylpyrazolidine-3-carboxamide

N-(5,6-difluoro-1H-indol-3-yl)-5-phenylpyrazolidine-3-carboxamide (PubChem CID 168678351) has the molecular formula C18H16F2N4O and a molecular weight of 342.35 g/mol. Its IUPAC name is N-(5,6-difluoro-1H-indol-3-yl)-5-phenylpyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-(5,6-difluoro-1H-indol-3-yl)-5-phenylpyrazolidine-3-carboxamide
PubChem CID168678351
Molecular FormulaC18H16F2N4O
Molecular Weight342.35 g/mol
Exact Mass342.13
IUPAC NameN-(5,6-difluoro-1H-indol-3-yl)-5-phenylpyrazolidine-3-carboxamide
SMILESO=C(Nc1c[nH]c2cc(F)c(F)cc12)C1CC(c2ccccc2)NN1
InChIInChI=1S/C18H16F2N4O/c19-12-6-11-15(7-13(12)20)21-9-17(11)22-18(25)16-8-14(23-24-16)10-4-2-1-3-5-10/h1-7,9,14,16,21,23-24H,8H2,(H,22,25)
InChIKeyZVOCWIAFDOILKT-UHFFFAOYSA-N
XLogP2.99
TPSA68.95 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 52.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-N-benzyl-3-(1H-indol-3-yl)-propionamide
CID 3143286
Cyclo-(L-Trp-L-Trp)
CID 7091706
c[L-Ala-D-pro-L-Phe-D-trp]
CID 44583393
(3R)-5-(2-fluorophenyl)-3-(1H-indol-3-ylmethyl)-1-methyl-3H-1,4-benzodiazepin-2-one
CID 656755
3-(cyclopentylamino)-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanamide
CID 156632963
3,6-bis(1H-indol-3-ylmethyl)piperazine-2,5-dione
CID 3837569
Fellutanine A
CID 6571639
N-[4-(2-Hydrazinylethyl)phenyl]-3-(1H-indol-3-yl)propanamide sulfate salt (15a)
CID 77014322
N-[4-(2-Hydrazinylethyl)phenyl]-4-(1H-indol-3-yl)butanamide sulfate salt (15b)
CID 77014324
N-(6-((3S,8aS)-3-benzyl-hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)-6-oxohexyl)-3-(1H-indol-3-yl)propanamide
CID 44418413
1-((3S,8aS)-3-benzyl-hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)-3-(1H-indol-3-yl)propan-1-one
CID 44418420
Ac-Pro-D-Phe(4-F)-Nle-Trp-NH2
CID 145987870

Frequently Asked Questions

What is the IUPAC name of N-(5,6-difluoro-1H-indol-3-yl)-5-phenylpyrazolidine-3-carboxamide?
The IUPAC name of N-(5,6-difluoro-1H-indol-3-yl)-5-phenylpyrazolidine-3-carboxamide (CID 168678351) is N-(5,6-difluoro-1H-indol-3-yl)-5-phenylpyrazolidine-3-carboxamide.
What is the SMILES notation for N-(5,6-difluoro-1H-indol-3-yl)-5-phenylpyrazolidine-3-carboxamide?
The canonical SMILES for N-(5,6-difluoro-1H-indol-3-yl)-5-phenylpyrazolidine-3-carboxamide is O=C(Nc1c[nH]c2cc(F)c(F)cc12)C1CC(c2ccccc2)NN1.
What is the InChIKey of N-(5,6-difluoro-1H-indol-3-yl)-5-phenylpyrazolidine-3-carboxamide?
The InChIKey is ZVOCWIAFDOILKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O/c19-12-6-11-15(7-13(12)20)21-9-17(11)22-18(25)16-8-14(23-24-16)10-4-2-1-3-5-10/h1-7,9,14,16,21,23-24H,8H2,(H,22,25).
What are the key properties of N-(5,6-difluoro-1H-indol-3-yl)-5-phenylpyrazolidine-3-carboxamide?
N-(5,6-difluoro-1H-indol-3-yl)-5-phenylpyrazolidine-3-carboxamide has a molecular weight of 342.35 g/mol, XLogP of 2.99, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-difluoro-1H-indol-3-yl)-5-phenylpyrazolidine-3-carboxamide is sourced from PubChem (CID 168678351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).