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

C15H14FN5 — CID 138543252

IUPAC(5S)-7-fluoro-2-(5-methylpyrazol-1-yl)-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole
SMILESCc1ccnn1-c1nc2n(n1)[C@H](c1ccccc1)CC2F
InChIInChI=1S/C15H14FN5/c1-10-7-8-17-20(10)15-18-14-12(16)9-13(21(14)19-15)11-5-3-2-4-6-11/h2-8,12-13H,9H2,1H3/t12?,13-/m0/s1
InChIKeyRGTCHMJHRGZKQJ-ABLWVSNPSA-N
MW283.31 g/mol
LogP2.78
Rot. Bonds2

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

(5S)-7-fluoro-2-(5-methylpyrazol-1-yl)-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole (PubChem CID 138543252) has the molecular formula C15H14FN5 and a molecular weight of 283.31 g/mol. Its IUPAC name is (5S)-7-fluoro-2-(5-methylpyrazol-1-yl)-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole.

Molecular Properties

Compound Name(5S)-7-fluoro-2-(5-methylpyrazol-1-yl)-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole
PubChem CID138543252
Molecular FormulaC15H14FN5
Molecular Weight283.31 g/mol
Exact Mass283.12
IUPAC Name(5S)-7-fluoro-2-(5-methylpyrazol-1-yl)-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole
SMILESCc1ccnn1-c1nc2n(n1)[C@H](c1ccccc1)CC2F
InChIInChI=1S/C15H14FN5/c1-10-7-8-17-20(10)15-18-14-12(16)9-13(21(14)19-15)11-5-3-2-4-6-11/h2-8,12-13H,9H2,1H3/t12?,13-/m0/s1
InChIKeyRGTCHMJHRGZKQJ-ABLWVSNPSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(R)-Zinc-3573
CID 95882507
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine
CID 156138327
(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
7-(4-Fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine
CID 4564331
7-(4-fluorophenyl)-2-(1H-pyrrol-1-yl)[1,2,4]triazolo[1,5-a]pyrimidine
CID 1478928
(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

Frequently Asked Questions

What is the IUPAC name of (5S)-7-fluoro-2-(5-methylpyrazol-1-yl)-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole?
The IUPAC name of (5S)-7-fluoro-2-(5-methylpyrazol-1-yl)-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole (CID 138543252) is (5S)-7-fluoro-2-(5-methylpyrazol-1-yl)-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole.
What is the SMILES notation for (5S)-7-fluoro-2-(5-methylpyrazol-1-yl)-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole?
The canonical SMILES for (5S)-7-fluoro-2-(5-methylpyrazol-1-yl)-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole is Cc1ccnn1-c1nc2n(n1)[C@H](c1ccccc1)CC2F.
What is the InChIKey of (5S)-7-fluoro-2-(5-methylpyrazol-1-yl)-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole?
The InChIKey is RGTCHMJHRGZKQJ-ABLWVSNPSA-N. The full InChI is InChI=1S/C15H14FN5/c1-10-7-8-17-20(10)15-18-14-12(16)9-13(21(14)19-15)11-5-3-2-4-6-11/h2-8,12-13H,9H2,1H3/t12?,13-/m0/s1.
What are the key properties of (5S)-7-fluoro-2-(5-methylpyrazol-1-yl)-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole?
(5S)-7-fluoro-2-(5-methylpyrazol-1-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 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-fluoro-2-(5-methylpyrazol-1-yl)-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole is sourced from PubChem (CID 138543252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).