1-[[2-(difluoromethoxy)-4,5-dimethylphenyl]methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol

C17H23F2N3O2 — CID 111467294

IUPAC1-[[2-(difluoromethoxy)-4,5-dimethylphenyl]methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
SMILESCc1cc(CNCC(C)(O)c2cnn(C)c2)c(OC(F)F)cc1C
InChIInChI=1S/C17H23F2N3O2/c1-11-5-13(15(6-12(11)2)24-16(18)19)7-20-10-17(3,23)14-8-21-22(4)9-14/h5-6,8-9,16,20,23H,7,10H2,1-4H3
InChIKeyNJAZQEGAOIGLGY-UHFFFAOYSA-N
MW339.39 g/mol
LogP2.64
Rot. Bonds7

About 1-[[2-(difluoromethoxy)-4,5-dimethylphenyl]methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol

1-[[2-(difluoromethoxy)-4,5-dimethylphenyl]methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol (PubChem CID 111467294) has the molecular formula C17H23F2N3O2 and a molecular weight of 339.39 g/mol. Its IUPAC name is 1-[[2-(difluoromethoxy)-4,5-dimethylphenyl]methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-[[2-(difluoromethoxy)-4,5-dimethylphenyl]methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
PubChem CID111467294
Molecular FormulaC17H23F2N3O2
Molecular Weight339.39 g/mol
Exact Mass339.18
IUPAC Name1-[[2-(difluoromethoxy)-4,5-dimethylphenyl]methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
SMILESCc1cc(CNCC(C)(O)c2cnn(C)c2)c(OC(F)F)cc1C
InChIInChI=1S/C17H23F2N3O2/c1-11-5-13(15(6-12(11)2)24-16(18)19)7-20-10-17(3,23)14-8-21-22(4)9-14/h5-6,8-9,16,20,23H,7,10H2,1-4H3
InChIKeyNJAZQEGAOIGLGY-UHFFFAOYSA-N
XLogP2.64
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[2-(difluoromethoxy)-4,5-dimethylphenyl]methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol with MolForge

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Related Compounds

1-[(4-fluoro-2-methylphenyl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 111457702
(2R)-1-[(4-chloro-2-methylphenyl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 99626808
1-[(2-cyclopentyloxyphenyl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 111457624
1-[(4-ethylphenyl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 111457689
(2R)-1-[[4-(2-methylpropyl)phenyl]methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 97223061
1-(2-methoxyethylamino)-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 66038024
2-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-ethyl-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]guanidine
CID 111988713
1-(methylamino)-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 66036984
1-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 111457569
2-(1-methylpyrazol-4-yl)-1-(propan-2-ylamino)propan-2-ol
CID 66039398
1-[[3-(2-methylphenyl)phenyl]methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 111457630
4-[[2-(difluoromethoxy)-4,5-dimethylphenyl]methylamino]-2,2-dimethylbutanoic acid
CID 122126997

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(difluoromethoxy)-4,5-dimethylphenyl]methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol?
The IUPAC name of 1-[[2-(difluoromethoxy)-4,5-dimethylphenyl]methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol (CID 111467294) is 1-[[2-(difluoromethoxy)-4,5-dimethylphenyl]methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol.
What is the SMILES notation for 1-[[2-(difluoromethoxy)-4,5-dimethylphenyl]methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol?
The canonical SMILES for 1-[[2-(difluoromethoxy)-4,5-dimethylphenyl]methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol is Cc1cc(CNCC(C)(O)c2cnn(C)c2)c(OC(F)F)cc1C.
What is the InChIKey of 1-[[2-(difluoromethoxy)-4,5-dimethylphenyl]methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol?
The InChIKey is NJAZQEGAOIGLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2N3O2/c1-11-5-13(15(6-12(11)2)24-16(18)19)7-20-10-17(3,23)14-8-21-22(4)9-14/h5-6,8-9,16,20,23H,7,10H2,1-4H3.
What are the key properties of 1-[[2-(difluoromethoxy)-4,5-dimethylphenyl]methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol?
1-[[2-(difluoromethoxy)-4,5-dimethylphenyl]methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol has a molecular weight of 339.39 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(difluoromethoxy)-4,5-dimethylphenyl]methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol is sourced from PubChem (CID 111467294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).