1,1,1-trifluoro-3-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]propan-2-ol

C9H14F3N3O2 — CID 114255782

IUPAC1,1,1-trifluoro-3-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]propan-2-ol
SMILESCOc1cc(CNCC(O)C(F)(F)F)nn1C
InChIInChI=1S/C9H14F3N3O2/c1-15-8(17-2)3-6(14-15)4-13-5-7(16)9(10,11)12/h3,7,13,16H,4-5H2,1-2H3
InChIKeyYOSBPOIOPQGSJT-UHFFFAOYSA-N
MW253.22 g/mol
LogP0.44
Rot. Bonds5

About 1,1,1-trifluoro-3-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]propan-2-ol

1,1,1-trifluoro-3-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]propan-2-ol (PubChem CID 114255782) has the molecular formula C9H14F3N3O2 and a molecular weight of 253.22 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]propan-2-ol
PubChem CID114255782
Molecular FormulaC9H14F3N3O2
Molecular Weight253.22 g/mol
Exact Mass253.10
IUPAC Name1,1,1-trifluoro-3-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]propan-2-ol
SMILESCOc1cc(CNCC(O)C(F)(F)F)nn1C
InChIInChI=1S/C9H14F3N3O2/c1-15-8(17-2)3-6(14-15)4-13-5-7(16)9(10,11)12/h3,7,13,16H,4-5H2,1-2H3
InChIKeyYOSBPOIOPQGSJT-UHFFFAOYSA-N
XLogP0.44
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(Difluoromethoxy)-2-methylpyrazol-3-yl]methanol
CID 68960590
1-Butyl-5-methoxy-3-(trifluoromethyl)pyrazole
CID 151494719
Ethane;1-ethyl-5-methoxy-3-(trifluoromethyl)pyrazole
CID 172596805
[1-(2-Amino-2-methylpropyl)-3-(difluoromethyl)pyrazol-5-yl] formate
CID 177908239
1-[5-Methoxy-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-amine;hydrochloride
CID 178139815
3-[1-Butyl-3-(trifluoromethyl)pyrazol-5-yl]oxypropan-1-amine
CID 46735267
1,1-Difluoro-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propan-2-ol
CID 113250645
5-methoxy-1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-3-carboxamide
CID 113579053
1-(3,3-difluorocyclopentyl)-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]methanamine
CID 114255762
N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-2-(trifluoromethoxy)ethanamine
CID 114255784
N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 114255800
3,3,3-Trifluoro-2-[[(5-methoxy-1-methylpyrazol-3-yl)methylamino]methyl]propanoic acid
CID 114256089

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]propan-2-ol (CID 114255782) is 1,1,1-trifluoro-3-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]propan-2-ol is COc1cc(CNCC(O)C(F)(F)F)nn1C.
What is the InChIKey of 1,1,1-trifluoro-3-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]propan-2-ol?
The InChIKey is YOSBPOIOPQGSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O2/c1-15-8(17-2)3-6(14-15)4-13-5-7(16)9(10,11)12/h3,7,13,16H,4-5H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-3-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]propan-2-ol?
1,1,1-trifluoro-3-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]propan-2-ol has a molecular weight of 253.22 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]propan-2-ol is sourced from PubChem (CID 114255782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).