(1R)-1-(2,5-difluorophenyl)-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanol

C16H19F2N3O — CID 95314003

IUPAC(1R)-1-(2,5-difluorophenyl)-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanol
SMILESCn1cc([C@@H]2CCCN2C[C@H](O)c2cc(F)ccc2F)cn1
InChIInChI=1S/C16H19F2N3O/c1-20-9-11(8-19-20)15-3-2-6-21(15)10-16(22)13-7-12(17)4-5-14(13)18/h4-5,7-9,15-16,22H,2-3,6,10H2,1H3/t15-,16-/m0/s1
InChIKeyQRGNDNZCRVWUEW-HOTGVXAUSA-N
MW307.34 g/mol
LogP2.57
Rot. Bonds4

About (1R)-1-(2,5-difluorophenyl)-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanol

(1R)-1-(2,5-difluorophenyl)-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanol (PubChem CID 95314003) has the molecular formula C16H19F2N3O and a molecular weight of 307.34 g/mol. Its IUPAC name is (1R)-1-(2,5-difluorophenyl)-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-(2,5-difluorophenyl)-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanol
PubChem CID95314003
Molecular FormulaC16H19F2N3O
Molecular Weight307.34 g/mol
Exact Mass307.15
IUPAC Name(1R)-1-(2,5-difluorophenyl)-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanol
SMILESCn1cc([C@@H]2CCCN2C[C@H](O)c2cc(F)ccc2F)cn1
InChIInChI=1S/C16H19F2N3O/c1-20-9-11(8-19-20)15-3-2-6-21(15)10-16(22)13-7-12(17)4-5-14(13)18/h4-5,7-9,15-16,22H,2-3,6,10H2,1H3/t15-,16-/m0/s1
InChIKeyQRGNDNZCRVWUEW-HOTGVXAUSA-N
XLogP2.57
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R)-1-(2,5-difluorophenyl)-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanol with MolForge

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Related Compounds

1-phenyl-2-(1H-pyrazol-1-yl)ethanol
CID 3245641
1-(2,5-Difluorophenyl)-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]ethanol
CID 56781795
1-(3,4-Dimethylphenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol
CID 48076344
1-(3-Fluorophenyl)-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]ethanol
CID 51104368
2-[3-(4-Methylpyrazol-1-yl)azetidin-1-yl]-1-phenylethanol
CID 53607212
1-(3,4-Difluorophenyl)-2-[2-(4-methylpyrazol-1-yl)ethylamino]ethanol
CID 53621988
2-[2-(4-Methylpyrazol-1-yl)ethylamino]-1-[4-(trifluoromethyl)phenyl]ethanol
CID 53622386
2-[4-[(4-Methylpyrazol-1-yl)methyl]piperidin-1-yl]-1-phenylethanol
CID 56780672
1-(4-Fluorophenyl)-2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanol
CID 56780676
1-(2-Fluorophenyl)-2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanol
CID 56780677
2-[3-(3,5-Dimethylpyrazol-1-yl)azetidin-1-yl]-1-(4-fluorophenyl)ethanol
CID 56781744
1-(3-Fluorophenyl)-2-(2-pyrazol-1-ylethylamino)ethanol
CID 56828862

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,5-difluorophenyl)-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanol?
The IUPAC name of (1R)-1-(2,5-difluorophenyl)-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanol (CID 95314003) is (1R)-1-(2,5-difluorophenyl)-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanol.
What is the SMILES notation for (1R)-1-(2,5-difluorophenyl)-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanol?
The canonical SMILES for (1R)-1-(2,5-difluorophenyl)-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanol is Cn1cc([C@@H]2CCCN2C[C@H](O)c2cc(F)ccc2F)cn1.
What is the InChIKey of (1R)-1-(2,5-difluorophenyl)-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanol?
The InChIKey is QRGNDNZCRVWUEW-HOTGVXAUSA-N. The full InChI is InChI=1S/C16H19F2N3O/c1-20-9-11(8-19-20)15-3-2-6-21(15)10-16(22)13-7-12(17)4-5-14(13)18/h4-5,7-9,15-16,22H,2-3,6,10H2,1H3/t15-,16-/m0/s1.
What are the key properties of (1R)-1-(2,5-difluorophenyl)-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanol?
(1R)-1-(2,5-difluorophenyl)-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanol has a molecular weight of 307.34 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,5-difluorophenyl)-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanol is sourced from PubChem (CID 95314003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).