2-[[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-(2,2,2-trifluoroethyl)amino]ethanol

C10H16F3N3O2 — CID 107481110

IUPAC2-[[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCc1nn(C)c(N(CCO)CC(F)(F)F)c1CO
InChIInChI=1S/C10H16F3N3O2/c1-7-8(5-18)9(15(2)14-7)16(3-4-17)6-10(11,12)13/h17-18H,3-6H2,1-2H3
InChIKeyCOAQHFKBLXXVQW-UHFFFAOYSA-N
MW267.25 g/mol
LogP0.58
Rot. Bonds5

About 2-[[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-(2,2,2-trifluoroethyl)amino]ethanol

2-[[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107481110) has the molecular formula C10H16F3N3O2 and a molecular weight of 267.25 g/mol. Its IUPAC name is 2-[[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107481110
Molecular FormulaC10H16F3N3O2
Molecular Weight267.25 g/mol
Exact Mass267.12
IUPAC Name2-[[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCc1nn(C)c(N(CCO)CC(F)(F)F)c1CO
InChIInChI=1S/C10H16F3N3O2/c1-7-8(5-18)9(15(2)14-7)16(3-4-17)6-10(11,12)13/h17-18H,3-6H2,1-2H3
InChIKeyCOAQHFKBLXXVQW-UHFFFAOYSA-N
XLogP0.58
TPSA61.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[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-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyrazol-4-yl]methanol
CID 55010925
[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-[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
5-[2,2-Difluoroethyl(2-hydroxyethyl)amino]-1,3-dimethylpyrazole-4-carbonitrile
CID 107479584

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-(2,2,2-trifluoroethyl)amino]ethanol (CID 107481110) is 2-[[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-(2,2,2-trifluoroethyl)amino]ethanol is Cc1nn(C)c(N(CCO)CC(F)(F)F)c1CO.
What is the InChIKey of 2-[[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is COAQHFKBLXXVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O2/c1-7-8(5-18)9(15(2)14-7)16(3-4-17)6-10(11,12)13/h17-18H,3-6H2,1-2H3.
What are the key properties of 2-[[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-(2,2,2-trifluoroethyl)amino]ethanol?
2-[[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 267.25 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107481110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).