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

C14H12FN5 — CID 138543192

IUPAC(5S,7S)-7-fluoro-5-phenyl-2-pyrazol-1-yl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole
SMILESF[C@H]1C[C@@H](c2ccccc2)n2nc(-n3cccn3)nc21
InChIInChI=1S/C14H12FN5/c15-11-9-12(10-5-2-1-3-6-10)20-13(11)17-14(18-20)19-8-4-7-16-19/h1-8,11-12H,9H2/t11-,12-/m0/s1
InChIKeyCENJBCACQPQXNX-RYUDHWBXSA-N
MW269.28 g/mol
LogP2.47
Rot. Bonds2

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

(5S,7S)-7-fluoro-5-phenyl-2-pyrazol-1-yl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole (PubChem CID 138543192) has the molecular formula C14H12FN5 and a molecular weight of 269.28 g/mol. Its IUPAC name is (5S,7S)-7-fluoro-5-phenyl-2-pyrazol-1-yl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole.

Molecular Properties

Compound Name(5S,7S)-7-fluoro-5-phenyl-2-pyrazol-1-yl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole
PubChem CID138543192
Molecular FormulaC14H12FN5
Molecular Weight269.28 g/mol
Exact Mass269.11
IUPAC Name(5S,7S)-7-fluoro-5-phenyl-2-pyrazol-1-yl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole
SMILESF[C@H]1C[C@@H](c2ccccc2)n2nc(-n3cccn3)nc21
InChIInChI=1S/C14H12FN5/c15-11-9-12(10-5-2-1-3-6-10)20-13(11)17-14(18-20)19-8-4-7-16-19/h1-8,11-12H,9H2/t11-,12-/m0/s1
InChIKeyCENJBCACQPQXNX-RYUDHWBXSA-N
XLogP2.47
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine
CID 156138327
2-Phenyl-(1,2,4)triazolo(1,5-a)pyrimidine
CID 327263
3-[1-(difluoromethyl)pyrazol-4-yl]-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine
CID 168269978
5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 129148013
(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
US10829492, Example 25
CID 134480305
US10829492, Example 24
CID 134480329
US11098058, Example 39
CID 137408067
US11072617, Example 151M26
CID 138585901

Frequently Asked Questions

What is the IUPAC name of (5S,7S)-7-fluoro-5-phenyl-2-pyrazol-1-yl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole?
The IUPAC name of (5S,7S)-7-fluoro-5-phenyl-2-pyrazol-1-yl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole (CID 138543192) is (5S,7S)-7-fluoro-5-phenyl-2-pyrazol-1-yl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole.
What is the SMILES notation for (5S,7S)-7-fluoro-5-phenyl-2-pyrazol-1-yl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole?
The canonical SMILES for (5S,7S)-7-fluoro-5-phenyl-2-pyrazol-1-yl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole is F[C@H]1C[C@@H](c2ccccc2)n2nc(-n3cccn3)nc21.
What is the InChIKey of (5S,7S)-7-fluoro-5-phenyl-2-pyrazol-1-yl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole?
The InChIKey is CENJBCACQPQXNX-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H12FN5/c15-11-9-12(10-5-2-1-3-6-10)20-13(11)17-14(18-20)19-8-4-7-16-19/h1-8,11-12H,9H2/t11-,12-/m0/s1.
What are the key properties of (5S,7S)-7-fluoro-5-phenyl-2-pyrazol-1-yl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole?
(5S,7S)-7-fluoro-5-phenyl-2-pyrazol-1-yl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole has a molecular weight of 269.28 g/mol, XLogP of 2.47, 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-5-phenyl-2-pyrazol-1-yl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole is sourced from PubChem (CID 138543192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).