[3-[[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]methyl]phenyl]methanol

C20H21F2N3O — CID 119123752

IUPAC[3-[[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]methyl]phenyl]methanol
SMILESCc1nn(-c2ccc(F)cc2F)c(C)c1CNCc1cccc(CO)c1
InChIInChI=1S/C20H21F2N3O/c1-13-18(11-23-10-15-4-3-5-16(8-15)12-26)14(2)25(24-13)20-7-6-17(21)9-19(20)22/h3-9,23,26H,10-12H2,1-2H3
InChIKeyGJJDKZYWHHJPNA-UHFFFAOYSA-N
MW357.40 g/mol
LogP3.55
Rot. Bonds6

About [3-[[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]methyl]phenyl]methanol

[3-[[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]methyl]phenyl]methanol (PubChem CID 119123752) has the molecular formula C20H21F2N3O and a molecular weight of 357.40 g/mol. Its IUPAC name is [3-[[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]methyl]phenyl]methanol
PubChem CID119123752
Molecular FormulaC20H21F2N3O
Molecular Weight357.40 g/mol
Exact Mass357.17
IUPAC Name[3-[[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]methyl]phenyl]methanol
SMILESCc1nn(-c2ccc(F)cc2F)c(C)c1CNCc1cccc(CO)c1
InChIInChI=1S/C20H21F2N3O/c1-13-18(11-23-10-15-4-3-5-16(8-15)12-26)14(2)25(24-13)20-7-6-17(21)9-19(20)22/h3-9,23,26H,10-12H2,1-2H3
InChIKeyGJJDKZYWHHJPNA-UHFFFAOYSA-N
XLogP3.55
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.40
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]-1-pyrrolidin-1-ylethanone
CID 56814833
N-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethanamine
CID 97065536
N-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
CID 124542975
(2R)-N-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 97187048
[2-[[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]methyl]phenyl]methanol
CID 47626637
N-[2-[(2,6-difluorobenzoyl)amino]ethyl]-1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 86942729
2-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(2S)-1-methoxy-3-phenylpropan-2-yl]acetamide
CID 95786318
2-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1R)-1-(2-fluorophenyl)ethyl]acetamide
CID 51955488
N-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-methylsulfonylpiperidin-4-amine
CID 154741660
N-[[4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methyl]propan-2-amine
CID 61236697
N-[(3-butoxyphenyl)methyl]-1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 55858559
N-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-morpholin-4-yl-2-(oxolan-3-yl)ethanamine
CID 47052353

Frequently Asked Questions

What is the IUPAC name of [3-[[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]methyl]phenyl]methanol?
The IUPAC name of [3-[[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]methyl]phenyl]methanol (CID 119123752) is [3-[[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]methyl]phenyl]methanol.
What is the SMILES notation for [3-[[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]methyl]phenyl]methanol?
The canonical SMILES for [3-[[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]methyl]phenyl]methanol is Cc1nn(-c2ccc(F)cc2F)c(C)c1CNCc1cccc(CO)c1.
What is the InChIKey of [3-[[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]methyl]phenyl]methanol?
The InChIKey is GJJDKZYWHHJPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3O/c1-13-18(11-23-10-15-4-3-5-16(8-15)12-26)14(2)25(24-13)20-7-6-17(21)9-19(20)22/h3-9,23,26H,10-12H2,1-2H3.
What are the key properties of [3-[[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]methyl]phenyl]methanol?
[3-[[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]methyl]phenyl]methanol has a molecular weight of 357.40 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]methyl]phenyl]methanol is sourced from PubChem (CID 119123752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).