[1,3-dimethyl-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyrazol-4-yl]methanol

C11H18F3N3O — CID 55010925

IUPAC[1,3-dimethyl-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyrazol-4-yl]methanol
SMILESCc1nn(C)c(N(CC(F)(F)F)C(C)C)c1CO
InChIInChI=1S/C11H18F3N3O/c1-7(2)17(6-11(12,13)14)10-9(5-18)8(3)15-16(10)4/h7,18H,5-6H2,1-4H3
InChIKeySGYRCNURQNPVEN-UHFFFAOYSA-N
MW265.28 g/mol
LogP2.00
Rot. Bonds4

About [1,3-dimethyl-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyrazol-4-yl]methanol

[1,3-dimethyl-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyrazol-4-yl]methanol (PubChem CID 55010925) has the molecular formula C11H18F3N3O and a molecular weight of 265.28 g/mol. Its IUPAC name is [1,3-dimethyl-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1,3-dimethyl-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyrazol-4-yl]methanol
PubChem CID55010925
Molecular FormulaC11H18F3N3O
Molecular Weight265.28 g/mol
Exact Mass265.14
IUPAC Name[1,3-dimethyl-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyrazol-4-yl]methanol
SMILESCc1nn(C)c(N(CC(F)(F)F)C(C)C)c1CO
InChIInChI=1S/C11H18F3N3O/c1-7(2)17(6-11(12,13)14)10-9(5-18)8(3)15-16(10)4/h7,18H,5-6H2,1-4H3
InChIKeySGYRCNURQNPVEN-UHFFFAOYSA-N
XLogP2.00
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-Amino-4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-ol
CID 152009278
[5-[Cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-dimethylpyrazol-4-yl]methanol
CID 55010488
[5-[Ethyl(2,2,2-trifluoroethyl)amino]-1,3-dimethylpyrazol-4-yl]methanol
CID 55010533
[1,3-Dimethyl-5-[propyl(2,2,2-trifluoroethyl)amino]pyrazol-4-yl]methanol
CID 55010682
[1,3-Dimethyl-5-[methyl(2,2,2-trifluoroethyl)amino]pyrazol-4-yl]methanol
CID 60890248
1,3-Dimethyl-5-[propyl(2,2,2-trifluoroethyl)amino]pyrazole-4-carboxylic acid
CID 61604863
1,3-Dimethyl-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyrazole-4-carboxylic acid
CID 61604936
[1,3-Dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-yl]methanol
CID 62969115
[1,3-Dimethyl-5-[methyl(3,3,3-trifluoropropyl)amino]pyrazol-4-yl]methanol
CID 65536310
[1,3-Dimethyl-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazol-4-yl]methanol
CID 65539012
[1,3-Dimethyl-5-[3-(trifluoromethyl)piperidin-1-yl]pyrazol-4-yl]methanol
CID 65539201
2-[[4-(Aminomethyl)-1,3-dimethylpyrazol-5-yl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107478502

Frequently Asked Questions

What is the IUPAC name of [1,3-dimethyl-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyrazol-4-yl]methanol?
The IUPAC name of [1,3-dimethyl-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyrazol-4-yl]methanol (CID 55010925) is [1,3-dimethyl-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyrazol-4-yl]methanol.
What is the SMILES notation for [1,3-dimethyl-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyrazol-4-yl]methanol?
The canonical SMILES for [1,3-dimethyl-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyrazol-4-yl]methanol is Cc1nn(C)c(N(CC(F)(F)F)C(C)C)c1CO.
What is the InChIKey of [1,3-dimethyl-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyrazol-4-yl]methanol?
The InChIKey is SGYRCNURQNPVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O/c1-7(2)17(6-11(12,13)14)10-9(5-18)8(3)15-16(10)4/h7,18H,5-6H2,1-4H3.
What are the key properties of [1,3-dimethyl-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyrazol-4-yl]methanol?
[1,3-dimethyl-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyrazol-4-yl]methanol has a molecular weight of 265.28 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3-dimethyl-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyrazol-4-yl]methanol is sourced from PubChem (CID 55010925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).