(2R)-1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methylamino]butan-2-ol

C21H23F2N3O — CID 28698029

IUPAC(2R)-1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methylamino]butan-2-ol
SMILESCC[C@@H](O)CNCc1cn(-c2ccc(F)cc2F)nc1-c1ccccc1C
InChIInChI=1S/C21H23F2N3O/c1-3-17(27)12-24-11-15-13-26(20-9-8-16(22)10-19(20)23)25-21(15)18-7-5-4-6-14(18)2/h4-10,13,17,24,27H,3,11-12H2,1-2H3/t17-/m1/s1
InChIKeyXTSAFSDGSIELOM-QGZVFWFLSA-N
MW371.43 g/mol
LogP3.99
Rot. Bonds7

About (2R)-1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methylamino]butan-2-ol

(2R)-1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methylamino]butan-2-ol (PubChem CID 28698029) has the molecular formula C21H23F2N3O and a molecular weight of 371.43 g/mol. Its IUPAC name is (2R)-1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methylamino]butan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methylamino]butan-2-ol
PubChem CID28698029
Molecular FormulaC21H23F2N3O
Molecular Weight371.43 g/mol
Exact Mass371.18
IUPAC Name(2R)-1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methylamino]butan-2-ol
SMILESCC[C@@H](O)CNCc1cn(-c2ccc(F)cc2F)nc1-c1ccccc1C
InChIInChI=1S/C21H23F2N3O/c1-3-17(27)12-24-11-15-13-26(20-9-8-16(22)10-19(20)23)25-21(15)18-7-5-4-6-14(18)2/h4-10,13,17,24,27H,3,11-12H2,1-2H3/t17-/m1/s1
InChIKeyXTSAFSDGSIELOM-QGZVFWFLSA-N
XLogP3.99
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methylamino]butan-2-ol with MolForge

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Related Compounds

1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methylamino]butan-2-ol
CID 45234945
N-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-1-(furan-2-yl)methanamine
CID 25381885
N-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-2-(3,5-dimethylpyrazol-1-yl)ethanamine
CID 42591952
N-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-1-[(2S)-1,4-dioxan-2-yl]methanamine
CID 26322474
1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 70732263
[4-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]morpholin-3-yl]methanol
CID 70757494
1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]-4-piperidin-1-ylpiperidine
CID 72545822
[1-(2,4-difluorophenyl)-3-phenylpyrazol-4-yl]methanol
CID 5002414
N-[[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]methyl]ethanamine
CID 79485450
1-[(2-chloro-5-fluorophenyl)methylamino]butan-2-ol
CID 102615984
1-[2-(2-methylphenyl)ethylamino]butan-2-ol
CID 79749191
4-ethyl-3-(4-fluorophenyl)-1-(2-methylphenyl)pyrazole
CID 141089638

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methylamino]butan-2-ol?
The IUPAC name of (2R)-1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methylamino]butan-2-ol (CID 28698029) is (2R)-1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methylamino]butan-2-ol.
What is the SMILES notation for (2R)-1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methylamino]butan-2-ol?
The canonical SMILES for (2R)-1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methylamino]butan-2-ol is CC[C@@H](O)CNCc1cn(-c2ccc(F)cc2F)nc1-c1ccccc1C.
What is the InChIKey of (2R)-1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methylamino]butan-2-ol?
The InChIKey is XTSAFSDGSIELOM-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H23F2N3O/c1-3-17(27)12-24-11-15-13-26(20-9-8-16(22)10-19(20)23)25-21(15)18-7-5-4-6-14(18)2/h4-10,13,17,24,27H,3,11-12H2,1-2H3/t17-/m1/s1.
What are the key properties of (2R)-1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methylamino]butan-2-ol?
(2R)-1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methylamino]butan-2-ol has a molecular weight of 371.43 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methylamino]butan-2-ol is sourced from PubChem (CID 28698029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).