1-[di(propan-2-yl)amino]-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol

C13H22F3N3O — CID 22958930

IUPAC1-[di(propan-2-yl)amino]-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
SMILESCC(C)N(CC(O)Cn1ccc(C(F)(F)F)n1)C(C)C
InChIInChI=1S/C13H22F3N3O/c1-9(2)19(10(3)4)8-11(20)7-18-6-5-12(17-18)13(14,15)16/h5-6,9-11,20H,7-8H2,1-4H3
InChIKeyMGGDBBDTMIGJIK-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.38
Rot. Bonds6

About 1-[di(propan-2-yl)amino]-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol

1-[di(propan-2-yl)amino]-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol (PubChem CID 22958930) has the molecular formula C13H22F3N3O and a molecular weight of 293.33 g/mol. Its IUPAC name is 1-[di(propan-2-yl)amino]-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[di(propan-2-yl)amino]-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
PubChem CID22958930
Molecular FormulaC13H22F3N3O
Molecular Weight293.33 g/mol
Exact Mass293.17
IUPAC Name1-[di(propan-2-yl)amino]-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
SMILESCC(C)N(CC(O)Cn1ccc(C(F)(F)F)n1)C(C)C
InChIInChI=1S/C13H22F3N3O/c1-9(2)19(10(3)4)8-11(20)7-18-6-5-12(17-18)13(14,15)16/h5-6,9-11,20H,7-8H2,1-4H3
InChIKeyMGGDBBDTMIGJIK-UHFFFAOYSA-N
XLogP2.38
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Hydroxy-7-methyl-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-4-ylium
CID 16682290
N-Hydroxymethyl-3-methylpyrazole
CID 127159
2-(3-Methyl-1H-pyrazol-1-yl)ethan-1-ol
CID 19621865
2-[5-(Trifluoromethyl)pyrazol-1-yl]ethanol
CID 83828147
1-Pyrrolidin-1-yl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 2809229
2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]ethanol
CID 19616490
2-(3-methyl-1H-pyrazol-1-yl)ethan-1-ol hydrochloride
CID 137971641
2-(5-Methyl-pyrazol-1-YL)-ethanol
CID 12360320
5-Methyl-2,3-dihydro-1H-4lambda(5)-pyrazolo(1,2-a)pyrazol-2-ol
CID 418580
1-(Propan-2-ylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 4284201
2-Methyl-4-[2-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethyl]morpholine
CID 122139898
1-(Oxiran-2-ylmethyl)-3-(trifluoromethyl)pyrazole
CID 18461116

Frequently Asked Questions

What is the IUPAC name of 1-[di(propan-2-yl)amino]-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
The IUPAC name of 1-[di(propan-2-yl)amino]-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol (CID 22958930) is 1-[di(propan-2-yl)amino]-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol.
What is the SMILES notation for 1-[di(propan-2-yl)amino]-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
The canonical SMILES for 1-[di(propan-2-yl)amino]-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol is CC(C)N(CC(O)Cn1ccc(C(F)(F)F)n1)C(C)C.
What is the InChIKey of 1-[di(propan-2-yl)amino]-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
The InChIKey is MGGDBBDTMIGJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N3O/c1-9(2)19(10(3)4)8-11(20)7-18-6-5-12(17-18)13(14,15)16/h5-6,9-11,20H,7-8H2,1-4H3.
What are the key properties of 1-[di(propan-2-yl)amino]-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
1-[di(propan-2-yl)amino]-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol has a molecular weight of 293.33 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[di(propan-2-yl)amino]-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol is sourced from PubChem (CID 22958930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).