4-fluoro-2-hydroxy-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]benzamide

C13H14FN3O2 — CID 99717451

IUPAC4-fluoro-2-hydroxy-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]benzamide
SMILESC[C@H](NC(=O)c1ccc(F)cc1O)c1cnn(C)c1
InChIInChI=1S/C13H14FN3O2/c1-8(9-6-15-17(2)7-9)16-13(19)11-4-3-10(14)5-12(11)18/h3-8,18H,1-2H3,(H,16,19)/t8-/m0/s1
InChIKeyRLSVWQXUOWDGOW-QMMMGPOBSA-N
MW263.27 g/mol
LogP1.76
Rot. Bonds3

About 4-fluoro-2-hydroxy-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]benzamide

4-fluoro-2-hydroxy-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]benzamide (PubChem CID 99717451) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is 4-fluoro-2-hydroxy-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-2-hydroxy-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]benzamide
PubChem CID99717451
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC Name4-fluoro-2-hydroxy-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]benzamide
SMILESC[C@H](NC(=O)c1ccc(F)cc1O)c1cnn(C)c1
InChIInChI=1S/C13H14FN3O2/c1-8(9-6-15-17(2)7-9)16-13(19)11-4-3-10(14)5-12(11)18/h3-8,18H,1-2H3,(H,16,19)/t8-/m0/s1
InChIKeyRLSVWQXUOWDGOW-QMMMGPOBSA-N
XLogP1.76
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1R)-1-(2,4-difluorophenyl)ethyl]-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea
CID 96520019
1-[(1R)-1-(2,4-difluorophenyl)ethyl]-3-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]urea
CID 96520021
2-chloro-N-[1-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 110472970
2-chloro-N-[1-(1-methylpyrazol-4-yl)ethyl]-5-methylsulfanylbenzamide
CID 45147156
5-fluoro-2-hydroxy-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]benzamide
CID 91772771
N-[1-(3-bromophenyl)ethyl]-4-fluoro-2-hydroxybenzamide
CID 107015012
5-chloro-2-methoxy-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 35276397
5-hydroxy-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]pyridine-2-carboxamide
CID 99974698
3,4-dichloro-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 35761538
5-hydroxy-N-[1-(1-methylpyrazol-4-yl)ethyl]pyridine-2-carboxamide
CID 86285442
3-chloro-2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 110473486
4-fluoro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-2-methylbenzamide
CID 91788133

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-hydroxy-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]benzamide?
The IUPAC name of 4-fluoro-2-hydroxy-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]benzamide (CID 99717451) is 4-fluoro-2-hydroxy-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 4-fluoro-2-hydroxy-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]benzamide?
The canonical SMILES for 4-fluoro-2-hydroxy-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]benzamide is C[C@H](NC(=O)c1ccc(F)cc1O)c1cnn(C)c1.
What is the InChIKey of 4-fluoro-2-hydroxy-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]benzamide?
The InChIKey is RLSVWQXUOWDGOW-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H14FN3O2/c1-8(9-6-15-17(2)7-9)16-13(19)11-4-3-10(14)5-12(11)18/h3-8,18H,1-2H3,(H,16,19)/t8-/m0/s1.
What are the key properties of 4-fluoro-2-hydroxy-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]benzamide?
4-fluoro-2-hydroxy-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]benzamide has a molecular weight of 263.27 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-hydroxy-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 99717451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).