2-[5-amino-3-(1,1-difluoro-2-methylpropan-2-yl)pyrazol-1-yl]ethanol

C9H15F2N3O — CID 165499685

IUPAC2-[5-amino-3-(1,1-difluoro-2-methylpropan-2-yl)pyrazol-1-yl]ethanol
SMILESCC(C)(c1cc(N)n(CCO)n1)C(F)F
InChIInChI=1S/C9H15F2N3O/c1-9(2,8(10)11)6-5-7(12)14(13-6)3-4-15/h5,8,15H,3-4,12H2,1-2H3
InChIKeyZYSIHVCIFBKAPH-UHFFFAOYSA-N
MW219.23 g/mol
LogP1.00
Rot. Bonds4

About 2-[5-amino-3-(1,1-difluoro-2-methylpropan-2-yl)pyrazol-1-yl]ethanol

2-[5-amino-3-(1,1-difluoro-2-methylpropan-2-yl)pyrazol-1-yl]ethanol (PubChem CID 165499685) has the molecular formula C9H15F2N3O and a molecular weight of 219.23 g/mol. Its IUPAC name is 2-[5-amino-3-(1,1-difluoro-2-methylpropan-2-yl)pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-amino-3-(1,1-difluoro-2-methylpropan-2-yl)pyrazol-1-yl]ethanol
PubChem CID165499685
Molecular FormulaC9H15F2N3O
Molecular Weight219.23 g/mol
Exact Mass219.12
IUPAC Name2-[5-amino-3-(1,1-difluoro-2-methylpropan-2-yl)pyrazol-1-yl]ethanol
SMILESCC(C)(c1cc(N)n(CCO)n1)C(F)F
InChIInChI=1S/C9H15F2N3O/c1-9(2,8(10)11)6-5-7(12)14(13-6)3-4-15/h5,8,15H,3-4,12H2,1-2H3
InChIKeyZYSIHVCIFBKAPH-UHFFFAOYSA-N
XLogP1.00
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.23
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-tert-Butyl-1-methyl-1H-pyrazol-5-amine
CID 2735287
2-(5-amino-3-tert-butyl-1H-pyrazol-1-yl)ethan-1-ol
CID 16227877
3-tert-Butyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-amine
CID 45926014
ethyl 2-(5-amino-3-tert-butyl-1H-pyrazol-1-yl)acetate
CID 59345794
3-(1,1-Dimethylethyl)-1-ethyl-1H-pyrazol-5-amine
CID 61265722
1-methyl-3-(1-(trifluoromethyl)cyclopropyl)-1H-pyrazol-5-amine
CID 154575254
2-(5-amino-3-tert-butyl-1H-pyrazol-1-yl)acetic acid hydrochloride
CID 71757082
2-Methyl-5-(3,3,3-trifluoro-2-methylpropyl)pyrazol-3-amine
CID 17852303
5-Propyl-2-(2,2,2-trifluoroethyl)pyrazol-3-amine
CID 57182162
N-(5-tert-butyl-2-methylpyrazol-3-yl)-2,2,2-trifluoroacetamide
CID 57792258
3-Tert-butyl-1-(4,4,4-trifluorobutyl)-1h-pyrazol-5-amine
CID 66643224
5-Tert-butyl-2-(3,3,3-trifluoropropyl)pyrazol-3-amine
CID 66643366

Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-3-(1,1-difluoro-2-methylpropan-2-yl)pyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-amino-3-(1,1-difluoro-2-methylpropan-2-yl)pyrazol-1-yl]ethanol (CID 165499685) is 2-[5-amino-3-(1,1-difluoro-2-methylpropan-2-yl)pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-amino-3-(1,1-difluoro-2-methylpropan-2-yl)pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-amino-3-(1,1-difluoro-2-methylpropan-2-yl)pyrazol-1-yl]ethanol is CC(C)(c1cc(N)n(CCO)n1)C(F)F.
What is the InChIKey of 2-[5-amino-3-(1,1-difluoro-2-methylpropan-2-yl)pyrazol-1-yl]ethanol?
The InChIKey is ZYSIHVCIFBKAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N3O/c1-9(2,8(10)11)6-5-7(12)14(13-6)3-4-15/h5,8,15H,3-4,12H2,1-2H3.
What are the key properties of 2-[5-amino-3-(1,1-difluoro-2-methylpropan-2-yl)pyrazol-1-yl]ethanol?
2-[5-amino-3-(1,1-difluoro-2-methylpropan-2-yl)pyrazol-1-yl]ethanol has a molecular weight of 219.23 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-3-(1,1-difluoro-2-methylpropan-2-yl)pyrazol-1-yl]ethanol is sourced from PubChem (CID 165499685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).