(2R)-1-[[(R)-(4-fluorophenyl)-(furan-2-yl)methyl]amino]-2-(1-methylpyrazol-4-yl)propan-2-ol

C18H20FN3O2 — CID 99854332

IUPAC(2R)-1-[[(R)-(4-fluorophenyl)-(furan-2-yl)methyl]amino]-2-(1-methylpyrazol-4-yl)propan-2-ol
SMILESCn1cc([C@@](C)(O)CN[C@H](c2ccc(F)cc2)c2ccco2)cn1
InChIInChI=1S/C18H20FN3O2/c1-18(23,14-10-21-22(2)11-14)12-20-17(16-4-3-9-24-16)13-5-7-15(19)8-6-13/h3-11,17,20,23H,12H2,1-2H3/t17-,18+/m1/s1
InChIKeyFAVPJIYKFPUPLQ-MSOLQXFVSA-N
MW329.38 g/mol
LogP2.74
Rot. Bonds6

About (2R)-1-[[(R)-(4-fluorophenyl)-(furan-2-yl)methyl]amino]-2-(1-methylpyrazol-4-yl)propan-2-ol

(2R)-1-[[(R)-(4-fluorophenyl)-(furan-2-yl)methyl]amino]-2-(1-methylpyrazol-4-yl)propan-2-ol (PubChem CID 99854332) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is (2R)-1-[[(R)-(4-fluorophenyl)-(furan-2-yl)methyl]amino]-2-(1-methylpyrazol-4-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[(R)-(4-fluorophenyl)-(furan-2-yl)methyl]amino]-2-(1-methylpyrazol-4-yl)propan-2-ol
PubChem CID99854332
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name(2R)-1-[[(R)-(4-fluorophenyl)-(furan-2-yl)methyl]amino]-2-(1-methylpyrazol-4-yl)propan-2-ol
SMILESCn1cc([C@@](C)(O)CN[C@H](c2ccc(F)cc2)c2ccco2)cn1
InChIInChI=1S/C18H20FN3O2/c1-18(23,14-10-21-22(2)11-14)12-20-17(16-4-3-9-24-16)13-5-7-15(19)8-6-13/h3-11,17,20,23H,12H2,1-2H3/t17-,18+/m1/s1
InChIKeyFAVPJIYKFPUPLQ-MSOLQXFVSA-N
XLogP2.74
TPSA63.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-1-[[(R)-(4-fluorophenyl)-(furan-2-yl)methyl]amino]-2-(1-methylpyrazol-4-yl)propan-2-ol with MolForge

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Related Compounds

2-(1-methylpyrazol-4-yl)-1-(propan-2-ylamino)propan-2-ol
CID 66039398
(2R)-1-[[(1S)-1-(2-fluorophenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 99852141
2-(1-methylpyrazol-4-yl)-1-(1-naphthalen-2-ylethylamino)propan-2-ol
CID 111755740
1-[1-(6-chloro-3-pyridinyl)ethylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 71907392
1-(methylamino)-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 66036984
N-[(R)-(4-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]furan-2-sulfonamide
CID 124620906
1-[[(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]amino]-2-thiophen-3-ylpropan-2-ol
CID 110010798
1-[(4-fluoro-2-methylphenyl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 111457702
N-tert-butyl-2-[[(R)-(4-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]amino]acetamide
CID 124618010
2-chloro-5-fluoro-N-[(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzenesulfonamide
CID 97239456
1-(2-chloro-4-fluorophenyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea
CID 111458897
5-fluoro-2-hydroxy-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide
CID 111664836

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[(R)-(4-fluorophenyl)-(furan-2-yl)methyl]amino]-2-(1-methylpyrazol-4-yl)propan-2-ol?
The IUPAC name of (2R)-1-[[(R)-(4-fluorophenyl)-(furan-2-yl)methyl]amino]-2-(1-methylpyrazol-4-yl)propan-2-ol (CID 99854332) is (2R)-1-[[(R)-(4-fluorophenyl)-(furan-2-yl)methyl]amino]-2-(1-methylpyrazol-4-yl)propan-2-ol.
What is the SMILES notation for (2R)-1-[[(R)-(4-fluorophenyl)-(furan-2-yl)methyl]amino]-2-(1-methylpyrazol-4-yl)propan-2-ol?
The canonical SMILES for (2R)-1-[[(R)-(4-fluorophenyl)-(furan-2-yl)methyl]amino]-2-(1-methylpyrazol-4-yl)propan-2-ol is Cn1cc([C@@](C)(O)CN[C@H](c2ccc(F)cc2)c2ccco2)cn1.
What is the InChIKey of (2R)-1-[[(R)-(4-fluorophenyl)-(furan-2-yl)methyl]amino]-2-(1-methylpyrazol-4-yl)propan-2-ol?
The InChIKey is FAVPJIYKFPUPLQ-MSOLQXFVSA-N. The full InChI is InChI=1S/C18H20FN3O2/c1-18(23,14-10-21-22(2)11-14)12-20-17(16-4-3-9-24-16)13-5-7-15(19)8-6-13/h3-11,17,20,23H,12H2,1-2H3/t17-,18+/m1/s1.
What are the key properties of (2R)-1-[[(R)-(4-fluorophenyl)-(furan-2-yl)methyl]amino]-2-(1-methylpyrazol-4-yl)propan-2-ol?
(2R)-1-[[(R)-(4-fluorophenyl)-(furan-2-yl)methyl]amino]-2-(1-methylpyrazol-4-yl)propan-2-ol has a molecular weight of 329.38 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[(R)-(4-fluorophenyl)-(furan-2-yl)methyl]amino]-2-(1-methylpyrazol-4-yl)propan-2-ol is sourced from PubChem (CID 99854332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).