[(1R,4S)-4-[[(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]amino]cyclopent-2-en-1-yl]methanol

C17H20FN3O — CID 86787511

IUPAC[(1R,4S)-4-[[(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]amino]cyclopent-2-en-1-yl]methanol
SMILESCn1cc(C(N[C@@H]2C=C[C@H](CO)C2)c2cccc(F)c2)cn1
InChIInChI=1S/C17H20FN3O/c1-21-10-14(9-19-21)17(13-3-2-4-15(18)8-13)20-16-6-5-12(7-16)11-22/h2-6,8-10,12,16-17,20,22H,7,11H2,1H3/t12-,16+,17?/m0/s1
InChIKeyQTVQLYSXKRJZPN-SQHWGMCGSA-N
MW301.37 g/mol
LogP2.18
Rot. Bonds5

About [(1R,4S)-4-[[(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]amino]cyclopent-2-en-1-yl]methanol

[(1R,4S)-4-[[(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]amino]cyclopent-2-en-1-yl]methanol (PubChem CID 86787511) has the molecular formula C17H20FN3O and a molecular weight of 301.37 g/mol. Its IUPAC name is [(1R,4S)-4-[[(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]amino]cyclopent-2-en-1-yl]methanol.

Molecular Properties

Compound Name[(1R,4S)-4-[[(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]amino]cyclopent-2-en-1-yl]methanol
PubChem CID86787511
Molecular FormulaC17H20FN3O
Molecular Weight301.37 g/mol
Exact Mass301.16
IUPAC Name[(1R,4S)-4-[[(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]amino]cyclopent-2-en-1-yl]methanol
SMILESCn1cc(C(N[C@@H]2C=C[C@H](CO)C2)c2cccc(F)c2)cn1
InChIInChI=1S/C17H20FN3O/c1-21-10-14(9-19-21)17(13-3-2-4-15(18)8-13)20-16-6-5-12(7-16)11-22/h2-6,8-10,12,16-17,20,22H,7,11H2,1H3/t12-,16+,17?/m0/s1
InChIKeyQTVQLYSXKRJZPN-SQHWGMCGSA-N
XLogP2.18
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [(1R,4S)-4-[[(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]amino]cyclopent-2-en-1-yl]methanol with MolForge

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Related Compounds

1-(1-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-4-piperidinyl)-3-phenyl-1-propanol
CID 16190683
1-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-3-piperidinol
CID 45196985
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]urea
CID 71864264
4-[[1-(2,4-Difluorophenyl)-3-(o-tolyl)pyrazol-4-yl]methylamino]butan-1-ol
CID 72546052
1-(3-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-(1-methylpyrazol-4-yl)methanamine
CID 75384284
(2S,3R)-1-[(4-fluorophenyl)methyl]-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol
CID 97384238
Sdccgsbi-0114811.P001
CID 45192921
3-(4-Fluorophenyl)-2-(3-pyrazol-1-ylpropylamino)propan-1-ol
CID 155119483
2-(4-fluorophenyl)-1-(1-methyl-1H-pyrazol-4-yl)ethan-1-amine
CID 43124204
2-(2,4-difluorophenyl)-1-(1-methyl-1H-pyrazol-4-yl)ethan-1-amine
CID 64559854
(1-Ethylpyrazol-4-yl)-[(4-fluorophenyl)methylamino]methanol
CID 171362194
2-{1-(2-fluorobenzyl)-4-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-2-piperazinyl}ethanol
CID 45175484

Frequently Asked Questions

What is the IUPAC name of [(1R,4S)-4-[[(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]amino]cyclopent-2-en-1-yl]methanol?
The IUPAC name of [(1R,4S)-4-[[(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]amino]cyclopent-2-en-1-yl]methanol (CID 86787511) is [(1R,4S)-4-[[(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]amino]cyclopent-2-en-1-yl]methanol.
What is the SMILES notation for [(1R,4S)-4-[[(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]amino]cyclopent-2-en-1-yl]methanol?
The canonical SMILES for [(1R,4S)-4-[[(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]amino]cyclopent-2-en-1-yl]methanol is Cn1cc(C(N[C@@H]2C=C[C@H](CO)C2)c2cccc(F)c2)cn1.
What is the InChIKey of [(1R,4S)-4-[[(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]amino]cyclopent-2-en-1-yl]methanol?
The InChIKey is QTVQLYSXKRJZPN-SQHWGMCGSA-N. The full InChI is InChI=1S/C17H20FN3O/c1-21-10-14(9-19-21)17(13-3-2-4-15(18)8-13)20-16-6-5-12(7-16)11-22/h2-6,8-10,12,16-17,20,22H,7,11H2,1H3/t12-,16+,17?/m0/s1.
What are the key properties of [(1R,4S)-4-[[(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]amino]cyclopent-2-en-1-yl]methanol?
[(1R,4S)-4-[[(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]amino]cyclopent-2-en-1-yl]methanol has a molecular weight of 301.37 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4S)-4-[[(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]amino]cyclopent-2-en-1-yl]methanol is sourced from PubChem (CID 86787511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).