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

C9H14F3N3O — CID 60890248

IUPAC[1,3-dimethyl-5-[methyl(2,2,2-trifluoroethyl)amino]pyrazol-4-yl]methanol
SMILESCc1nn(C)c(N(C)CC(F)(F)F)c1CO
InChIInChI=1S/C9H14F3N3O/c1-6-7(4-16)8(15(3)13-6)14(2)5-9(10,11)12/h16H,4-5H2,1-3H3
InChIKeyOBHUUDSGUCQCTO-UHFFFAOYSA-N
MW237.22 g/mol
LogP1.22
Rot. Bonds3

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

[1,3-dimethyl-5-[methyl(2,2,2-trifluoroethyl)amino]pyrazol-4-yl]methanol (PubChem CID 60890248) has the molecular formula C9H14F3N3O and a molecular weight of 237.22 g/mol. Its IUPAC name is [1,3-dimethyl-5-[methyl(2,2,2-trifluoroethyl)amino]pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1,3-dimethyl-5-[methyl(2,2,2-trifluoroethyl)amino]pyrazol-4-yl]methanol
PubChem CID60890248
Molecular FormulaC9H14F3N3O
Molecular Weight237.22 g/mol
Exact Mass237.11
IUPAC Name[1,3-dimethyl-5-[methyl(2,2,2-trifluoroethyl)amino]pyrazol-4-yl]methanol
SMILESCc1nn(C)c(N(C)CC(F)(F)F)c1CO
InChIInChI=1S/C9H14F3N3O/c1-6-7(4-16)8(15(3)13-6)14(2)5-9(10,11)12/h16H,4-5H2,1-3H3
InChIKeyOBHUUDSGUCQCTO-UHFFFAOYSA-N
XLogP1.22
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]ethanol
CID 60961185
[1,3-dimethyl-5-[methyl(2-methylsulfanylethyl)amino]pyrazol-4-yl]methanol
CID 112661702
[5-(diethylamino)-1,3-dimethylpyrazol-4-yl]methanol
CID 28963363
2-[[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]propan-1-ol
CID 104552650
[1,3-dimethyl-5-[methyl(1,3-thiazol-4-ylmethyl)amino]pyrazol-4-yl]methanol
CID 55013920
2-[ethyl-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]amino]ethanol
CID 60981461
[5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1,3-dimethylpyrazol-4-yl]methanol
CID 55233427
[5-[(4-ethylcyclohexyl)-methylamino]-1,3-dimethylpyrazol-4-yl]methanol
CID 61449265
2-[[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]ethanol
CID 60960906
5-N,3-dimethyl-1-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
CID 66027818
1-[[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]propan-2-ol
CID 62336030
[5-(N-ethyl-2-methylanilino)-1,3-dimethylpyrazol-4-yl]methanol
CID 43122128

Frequently Asked Questions

What is the IUPAC name of [1,3-dimethyl-5-[methyl(2,2,2-trifluoroethyl)amino]pyrazol-4-yl]methanol?
The IUPAC name of [1,3-dimethyl-5-[methyl(2,2,2-trifluoroethyl)amino]pyrazol-4-yl]methanol (CID 60890248) is [1,3-dimethyl-5-[methyl(2,2,2-trifluoroethyl)amino]pyrazol-4-yl]methanol.
What is the SMILES notation for [1,3-dimethyl-5-[methyl(2,2,2-trifluoroethyl)amino]pyrazol-4-yl]methanol?
The canonical SMILES for [1,3-dimethyl-5-[methyl(2,2,2-trifluoroethyl)amino]pyrazol-4-yl]methanol is Cc1nn(C)c(N(C)CC(F)(F)F)c1CO.
What is the InChIKey of [1,3-dimethyl-5-[methyl(2,2,2-trifluoroethyl)amino]pyrazol-4-yl]methanol?
The InChIKey is OBHUUDSGUCQCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O/c1-6-7(4-16)8(15(3)13-6)14(2)5-9(10,11)12/h16H,4-5H2,1-3H3.
What are the key properties of [1,3-dimethyl-5-[methyl(2,2,2-trifluoroethyl)amino]pyrazol-4-yl]methanol?
[1,3-dimethyl-5-[methyl(2,2,2-trifluoroethyl)amino]pyrazol-4-yl]methanol has a molecular weight of 237.22 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3-dimethyl-5-[methyl(2,2,2-trifluoroethyl)amino]pyrazol-4-yl]methanol is sourced from PubChem (CID 60890248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).