3-[(1,5-dimethylpyrazol-4-yl)methylamino]-1,1,1-trifluoropropan-2-ol

C9H14F3N3O — CID 115767694

IUPAC3-[(1,5-dimethylpyrazol-4-yl)methylamino]-1,1,1-trifluoropropan-2-ol
SMILESCc1c(CNCC(O)C(F)(F)F)cnn1C
InChIInChI=1S/C9H14F3N3O/c1-6-7(4-14-15(6)2)3-13-5-8(16)9(10,11)12/h4,8,13,16H,3,5H2,1-2H3
InChIKeyGIBLAIACDBRBBL-UHFFFAOYSA-N
MW237.22 g/mol
LogP0.74
Rot. Bonds4

About 3-[(1,5-dimethylpyrazol-4-yl)methylamino]-1,1,1-trifluoropropan-2-ol

3-[(1,5-dimethylpyrazol-4-yl)methylamino]-1,1,1-trifluoropropan-2-ol (PubChem CID 115767694) has the molecular formula C9H14F3N3O and a molecular weight of 237.22 g/mol. Its IUPAC name is 3-[(1,5-dimethylpyrazol-4-yl)methylamino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[(1,5-dimethylpyrazol-4-yl)methylamino]-1,1,1-trifluoropropan-2-ol
PubChem CID115767694
Molecular FormulaC9H14F3N3O
Molecular Weight237.22 g/mol
Exact Mass237.11
IUPAC Name3-[(1,5-dimethylpyrazol-4-yl)methylamino]-1,1,1-trifluoropropan-2-ol
SMILESCc1c(CNCC(O)C(F)(F)F)cnn1C
InChIInChI=1S/C9H14F3N3O/c1-6-7(4-14-15(6)2)3-13-5-8(16)9(10,11)12/h4,8,13,16H,3,5H2,1-2H3
InChIKeyGIBLAIACDBRBBL-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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Frequently Asked Questions

What is the IUPAC name of 3-[(1,5-dimethylpyrazol-4-yl)methylamino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[(1,5-dimethylpyrazol-4-yl)methylamino]-1,1,1-trifluoropropan-2-ol (CID 115767694) is 3-[(1,5-dimethylpyrazol-4-yl)methylamino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[(1,5-dimethylpyrazol-4-yl)methylamino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[(1,5-dimethylpyrazol-4-yl)methylamino]-1,1,1-trifluoropropan-2-ol is Cc1c(CNCC(O)C(F)(F)F)cnn1C.
What is the InChIKey of 3-[(1,5-dimethylpyrazol-4-yl)methylamino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is GIBLAIACDBRBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O/c1-6-7(4-14-15(6)2)3-13-5-8(16)9(10,11)12/h4,8,13,16H,3,5H2,1-2H3.
What are the key properties of 3-[(1,5-dimethylpyrazol-4-yl)methylamino]-1,1,1-trifluoropropan-2-ol?
3-[(1,5-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-[(1,5-dimethylpyrazol-4-yl)methylamino]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 115767694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).