(5S,7S)-7-fluoro-2-(1-methylpyrazol-3-yl)-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole

C15H14FN5 — CID 138543261

IUPAC(5S,7S)-7-fluoro-2-(1-methylpyrazol-3-yl)-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole
SMILESCn1ccc(-c2nc3n(n2)[C@H](c2ccccc2)C[C@@H]3F)n1
InChIInChI=1S/C15H14FN5/c1-20-8-7-12(18-20)14-17-15-11(16)9-13(21(15)19-14)10-5-3-2-4-6-10/h2-8,11,13H,9H2,1H3/t11-,13-/m0/s1
InChIKeyOTBMKSWOSBUXIR-AAEUAGOBSA-N
MW283.31 g/mol
LogP2.68
Rot. Bonds2

About (5S,7S)-7-fluoro-2-(1-methylpyrazol-3-yl)-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole

(5S,7S)-7-fluoro-2-(1-methylpyrazol-3-yl)-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole (PubChem CID 138543261) has the molecular formula C15H14FN5 and a molecular weight of 283.31 g/mol. Its IUPAC name is (5S,7S)-7-fluoro-2-(1-methylpyrazol-3-yl)-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole.

Molecular Properties

Compound Name(5S,7S)-7-fluoro-2-(1-methylpyrazol-3-yl)-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole
PubChem CID138543261
Molecular FormulaC15H14FN5
Molecular Weight283.31 g/mol
Exact Mass283.12
IUPAC Name(5S,7S)-7-fluoro-2-(1-methylpyrazol-3-yl)-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole
SMILESCn1ccc(-c2nc3n(n2)[C@H](c2ccccc2)C[C@@H]3F)n1
InChIInChI=1S/C15H14FN5/c1-20-8-7-12(18-20)14-17-15-11(16)9-13(21(15)19-14)10-5-3-2-4-6-10/h2-8,11,13H,9H2,1H3/t11-,13-/m0/s1
InChIKeyOTBMKSWOSBUXIR-AAEUAGOBSA-N
XLogP2.68
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5S,7S)-7-fluoro-2-(1-methylpyrazol-3-yl)-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole 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

(R)-Zinc-3573
CID 95882507
(S)-Zinc-5373
CID 95882508
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine
CID 168269448
3-(3,5-Dimethylpyrazol-1-yl)-6-phenyl-1,2,4-triazine
CID 5308515
(S)-6-(2-(1-methyl-1H-pyrazol-4-yl)phenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 44574080
(S)-6-(2-(1H-pyrazol-1-yl)phenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 44574103
6-(5-fluoro-2-(1H-pyrazol-1-yl)phenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 44574137
6-(4-fluoro-2-(1H-pyrazol-1-yl)phenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 44574138
1-[1-(4-Fluorophenyl)propyl]-5-(1-methylpyrazol-4-yl)imidazole
CID 46980420
2-[1-(4-fluorobenzyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl]-N,6-dimethylpyrimidin-4-amine
CID 56753695
5-(Imidazol-1-ylmethyl)-1-methyl-3-phenylpyrazole
CID 137658690
1-[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-N-methyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]methanamine
CID 16188766

Frequently Asked Questions

What is the IUPAC name of (5S,7S)-7-fluoro-2-(1-methylpyrazol-3-yl)-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole?
The IUPAC name of (5S,7S)-7-fluoro-2-(1-methylpyrazol-3-yl)-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole (CID 138543261) is (5S,7S)-7-fluoro-2-(1-methylpyrazol-3-yl)-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole.
What is the SMILES notation for (5S,7S)-7-fluoro-2-(1-methylpyrazol-3-yl)-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole?
The canonical SMILES for (5S,7S)-7-fluoro-2-(1-methylpyrazol-3-yl)-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole is Cn1ccc(-c2nc3n(n2)[C@H](c2ccccc2)C[C@@H]3F)n1.
What is the InChIKey of (5S,7S)-7-fluoro-2-(1-methylpyrazol-3-yl)-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole?
The InChIKey is OTBMKSWOSBUXIR-AAEUAGOBSA-N. The full InChI is InChI=1S/C15H14FN5/c1-20-8-7-12(18-20)14-17-15-11(16)9-13(21(15)19-14)10-5-3-2-4-6-10/h2-8,11,13H,9H2,1H3/t11-,13-/m0/s1.
What are the key properties of (5S,7S)-7-fluoro-2-(1-methylpyrazol-3-yl)-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole?
(5S,7S)-7-fluoro-2-(1-methylpyrazol-3-yl)-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole has a molecular weight of 283.31 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7S)-7-fluoro-2-(1-methylpyrazol-3-yl)-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole is sourced from PubChem (CID 138543261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).