(1S)-1-(2-fluorophenyl)-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanol

C16H20FN3O — CID 100844004

IUPAC(1S)-1-(2-fluorophenyl)-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanol
SMILESCn1cc([C@H]2CCCN2C[C@@H](O)c2ccccc2F)cn1
InChIInChI=1S/C16H20FN3O/c1-19-10-12(9-18-19)15-7-4-8-20(15)11-16(21)13-5-2-3-6-14(13)17/h2-3,5-6,9-10,15-16,21H,4,7-8,11H2,1H3/t15-,16-/m1/s1
InChIKeyNNFDSXIVLBMCSI-HZPDHXFCSA-N
MW289.35 g/mol
LogP2.43
Rot. Bonds4

About (1S)-1-(2-fluorophenyl)-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanol

(1S)-1-(2-fluorophenyl)-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanol (PubChem CID 100844004) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is (1S)-1-(2-fluorophenyl)-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-(2-fluorophenyl)-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanol
PubChem CID100844004
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name(1S)-1-(2-fluorophenyl)-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanol
SMILESCn1cc([C@H]2CCCN2C[C@@H](O)c2ccccc2F)cn1
InChIInChI=1S/C16H20FN3O/c1-19-10-12(9-18-19)15-7-4-8-20(15)11-16(21)13-5-2-3-6-14(13)17/h2-3,5-6,9-10,15-16,21H,4,7-8,11H2,1H3/t15-,16-/m1/s1
InChIKeyNNFDSXIVLBMCSI-HZPDHXFCSA-N
XLogP2.43
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(2,4-difluorophenyl)-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanol
CID 95569764
(1R)-1-(2,5-difluorophenyl)-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanol
CID 95314003
(1R)-1-(3-fluorophenyl)-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanol
CID 95308653
(1S)-1-(3-fluorophenyl)-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanol
CID 98757362
(1S)-1-(2-fluorophenyl)-2-[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]ethanol
CID 129477556
1-(2-fluorophenyl)-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethanol
CID 110899499
1-(2-fluorophenyl)-2-[(2S)-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethanol
CID 146139052
(2S)-1-(4-fluorophenoxy)-3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propan-2-ol
CID 95569820
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propan-2-ol
CID 56780817
(1R)-1-(2-fluorophenyl)-2-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanol
CID 95750977
(1R)-1-(2-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]ethanol
CID 95153941
(1R)-1-(2-fluorophenyl)-2-[(2S)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]ethanol
CID 124788035

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-fluorophenyl)-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanol?
The IUPAC name of (1S)-1-(2-fluorophenyl)-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanol (CID 100844004) is (1S)-1-(2-fluorophenyl)-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanol.
What is the SMILES notation for (1S)-1-(2-fluorophenyl)-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanol?
The canonical SMILES for (1S)-1-(2-fluorophenyl)-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanol is Cn1cc([C@H]2CCCN2C[C@@H](O)c2ccccc2F)cn1.
What is the InChIKey of (1S)-1-(2-fluorophenyl)-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanol?
The InChIKey is NNFDSXIVLBMCSI-HZPDHXFCSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-19-10-12(9-18-19)15-7-4-8-20(15)11-16(21)13-5-2-3-6-14(13)17/h2-3,5-6,9-10,15-16,21H,4,7-8,11H2,1H3/t15-,16-/m1/s1.
What are the key properties of (1S)-1-(2-fluorophenyl)-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanol?
(1S)-1-(2-fluorophenyl)-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanol has a molecular weight of 289.35 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-fluorophenyl)-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanol is sourced from PubChem (CID 100844004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).