(3R,5S)-5-(3-fluorophenyl)-1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-3-ol

C17H17FN4O — CID 129480601

IUPAC(3R,5S)-5-(3-fluorophenyl)-1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-3-ol
SMILESCc1cc2c(N3C[C@H](O)C[C@H]3c3cccc(F)c3)nccn2n1
InChIInChI=1S/C17H17FN4O/c1-11-7-16-17(19-5-6-22(16)20-11)21-10-14(23)9-15(21)12-3-2-4-13(18)8-12/h2-8,14-15,23H,9-10H2,1H3/t14-,15+/m1/s1
InChIKeyHVAMEUBWWSKFBX-CABCVRRESA-N
MW312.35 g/mol
LogP2.49
Rot. Bonds2

About (3R,5S)-5-(3-fluorophenyl)-1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-3-ol

(3R,5S)-5-(3-fluorophenyl)-1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-3-ol (PubChem CID 129480601) has the molecular formula C17H17FN4O and a molecular weight of 312.35 g/mol. Its IUPAC name is (3R,5S)-5-(3-fluorophenyl)-1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5S)-5-(3-fluorophenyl)-1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-3-ol
PubChem CID129480601
Molecular FormulaC17H17FN4O
Molecular Weight312.35 g/mol
Exact Mass312.14
IUPAC Name(3R,5S)-5-(3-fluorophenyl)-1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-3-ol
SMILESCc1cc2c(N3C[C@H](O)C[C@H]3c3cccc(F)c3)nccn2n1
InChIInChI=1S/C17H17FN4O/c1-11-7-16-17(19-5-6-22(16)20-11)21-10-14(23)9-15(21)12-3-2-4-13(18)8-12/h2-8,14-15,23H,9-10H2,1H3/t14-,15+/m1/s1
InChIKeyHVAMEUBWWSKFBX-CABCVRRESA-N
XLogP2.49
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R,5S)-5-(3-fluorophenyl)-1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-3-ol 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

5-(3-fluorophenyl)-1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-3-ol
CID 128975461
2-[(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]pyridine-3-carbonitrile
CID 129448984
(3S,5S)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-5-(3-fluorophenyl)pyrrolidin-3-ol
CID 129480535
(3S,5R)-5-(3-fluorophenyl)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-ol
CID 100710239
(3R,5R)-5-(3-fluorophenyl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-ol
CID 129447312
(3R,5R)-5-(3-fluorophenyl)-1-(7H-purin-6-yl)pyrrolidin-3-ol
CID 129447470
(3R,5S)-1-(3-fluoro-2-pyridinyl)-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 129481949
(3S,5R)-1-(5-chloro-2-pyridinyl)-5-(3-fluorophenyl)pyrrolidin-3-ol
CID 129480765
(3S,5S)-5-(3-fluorophenyl)-1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)pyrrolidin-3-ol
CID 129480731
5-(3-fluorophenyl)-1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)pyrrolidin-3-ol
CID 128970090
(3R,5R)-5-(3-fluorophenyl)-1-(2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-ol
CID 129350743
(3S,5S)-5-(3-fluorophenyl)-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-ol
CID 125140969

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-(3-fluorophenyl)-1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-3-ol?
The IUPAC name of (3R,5S)-5-(3-fluorophenyl)-1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-3-ol (CID 129480601) is (3R,5S)-5-(3-fluorophenyl)-1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,5S)-5-(3-fluorophenyl)-1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-3-ol?
The canonical SMILES for (3R,5S)-5-(3-fluorophenyl)-1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-3-ol is Cc1cc2c(N3C[C@H](O)C[C@H]3c3cccc(F)c3)nccn2n1.
What is the InChIKey of (3R,5S)-5-(3-fluorophenyl)-1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-3-ol?
The InChIKey is HVAMEUBWWSKFBX-CABCVRRESA-N. The full InChI is InChI=1S/C17H17FN4O/c1-11-7-16-17(19-5-6-22(16)20-11)21-10-14(23)9-15(21)12-3-2-4-13(18)8-12/h2-8,14-15,23H,9-10H2,1H3/t14-,15+/m1/s1.
What are the key properties of (3R,5S)-5-(3-fluorophenyl)-1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-3-ol?
(3R,5S)-5-(3-fluorophenyl)-1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-3-ol has a molecular weight of 312.35 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-(3-fluorophenyl)-1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-3-ol is sourced from PubChem (CID 129480601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).