3-[(1,3-dimethylpyrazol-4-yl)methylamino]-1,1,1-trifluoropropan-2-ol

C9H14F3N3O — CID 112705249

IUPAC3-[(1,3-dimethylpyrazol-4-yl)methylamino]-1,1,1-trifluoropropan-2-ol
SMILESCc1nn(C)cc1CNCC(O)C(F)(F)F
InChIInChI=1S/C9H14F3N3O/c1-6-7(5-15(2)14-6)3-13-4-8(16)9(10,11)12/h5,8,13,16H,3-4H2,1-2H3
InChIKeyJWVWHFGZVHDZPW-UHFFFAOYSA-N
MW237.22 g/mol
LogP0.74
Rot. Bonds4

About 3-[(1,3-dimethylpyrazol-4-yl)methylamino]-1,1,1-trifluoropropan-2-ol

3-[(1,3-dimethylpyrazol-4-yl)methylamino]-1,1,1-trifluoropropan-2-ol (PubChem CID 112705249) has the molecular formula C9H14F3N3O and a molecular weight of 237.22 g/mol. Its IUPAC name is 3-[(1,3-dimethylpyrazol-4-yl)methylamino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[(1,3-dimethylpyrazol-4-yl)methylamino]-1,1,1-trifluoropropan-2-ol
PubChem CID112705249
Molecular FormulaC9H14F3N3O
Molecular Weight237.22 g/mol
Exact Mass237.11
IUPAC Name3-[(1,3-dimethylpyrazol-4-yl)methylamino]-1,1,1-trifluoropropan-2-ol
SMILESCc1nn(C)cc1CNCC(O)C(F)(F)F
InChIInChI=1S/C9H14F3N3O/c1-6-7(5-15(2)14-6)3-13-4-8(16)9(10,11)12/h5,8,13,16H,3-4H2,1-2H3
InChIKeyJWVWHFGZVHDZPW-UHFFFAOYSA-N
XLogP0.74
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(difluoromethyl)-1-methyl-1H-pyrazol-4-yl]methanamine
CID 126844201
2-[4-(aminomethyl)-3-methyl-1H-pyrazol-1-yl]ethan-1-ol hydrochloride
CID 137951156
2-(4,5-Dimethylpyrazol-1-yl)ethanol
CID 58514590
1-(Propan-2-ylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 4284201
N-[(1-allyl-3-methyl-1H-pyrazol-4-yl)methyl]-2-ethoxyethanamine
CID 46986896
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2,2,2-trifluoroacetamide
CID 4437626
2-[4-Methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol
CID 58514586
2-[4-Methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol
CID 58514749
1-[3-(Trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 61631899
3,3-Dimethyl-1-[3-(trifluoromethyl)pyrazol-1-yl]butan-2-ol
CID 61771736
N-methyl-1-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]methanamine
CID 66441328
[5-Methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methanamine
CID 67246042

Frequently Asked Questions

What is the IUPAC name of 3-[(1,3-dimethylpyrazol-4-yl)methylamino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[(1,3-dimethylpyrazol-4-yl)methylamino]-1,1,1-trifluoropropan-2-ol (CID 112705249) is 3-[(1,3-dimethylpyrazol-4-yl)methylamino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[(1,3-dimethylpyrazol-4-yl)methylamino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[(1,3-dimethylpyrazol-4-yl)methylamino]-1,1,1-trifluoropropan-2-ol is Cc1nn(C)cc1CNCC(O)C(F)(F)F.
What is the InChIKey of 3-[(1,3-dimethylpyrazol-4-yl)methylamino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is JWVWHFGZVHDZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O/c1-6-7(5-15(2)14-6)3-13-4-8(16)9(10,11)12/h5,8,13,16H,3-4H2,1-2H3.
What are the key properties of 3-[(1,3-dimethylpyrazol-4-yl)methylamino]-1,1,1-trifluoropropan-2-ol?
3-[(1,3-dimethylpyrazol-4-yl)methylamino]-1,1,1-trifluoropropan-2-ol has a molecular weight of 237.22 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,3-dimethylpyrazol-4-yl)methylamino]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 112705249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).