3,3,3-trifluoro-1-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-ol

C10H14F3N3O — CID 135191335

IUPAC3,3,3-trifluoro-1-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-ol
SMILESCc1[nH]nc2c1CN(C(O)CC(F)(F)F)CC2
InChIInChI=1S/C10H14F3N3O/c1-6-7-5-16(3-2-8(7)15-14-6)9(17)4-10(11,12)13/h9,17H,2-5H2,1H3,(H,14,15)
InChIKeyAFPFDNYMCVKTBD-UHFFFAOYSA-N
MW249.24 g/mol
LogP1.35
Rot. Bonds2

About 3,3,3-trifluoro-1-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-ol

3,3,3-trifluoro-1-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-ol (PubChem CID 135191335) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-ol.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-ol
PubChem CID135191335
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name3,3,3-trifluoro-1-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-ol
SMILESCc1[nH]nc2c1CN(C(O)CC(F)(F)F)CC2
InChIInChI=1S/C10H14F3N3O/c1-6-7-5-16(3-2-8(7)15-14-6)9(17)4-10(11,12)13/h9,17H,2-5H2,1H3,(H,14,15)
InChIKeyAFPFDNYMCVKTBD-UHFFFAOYSA-N
XLogP1.35
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-ol?
The IUPAC name of 3,3,3-trifluoro-1-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-ol (CID 135191335) is 3,3,3-trifluoro-1-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-ol.
What is the SMILES notation for 3,3,3-trifluoro-1-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-ol?
The canonical SMILES for 3,3,3-trifluoro-1-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-ol is Cc1[nH]nc2c1CN(C(O)CC(F)(F)F)CC2.
What is the InChIKey of 3,3,3-trifluoro-1-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-ol?
The InChIKey is AFPFDNYMCVKTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-6-7-5-16(3-2-8(7)15-14-6)9(17)4-10(11,12)13/h9,17H,2-5H2,1H3,(H,14,15).
What are the key properties of 3,3,3-trifluoro-1-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-ol?
3,3,3-trifluoro-1-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-ol has a molecular weight of 249.24 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-ol is sourced from PubChem (CID 135191335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).