2-[(5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl)methyl]-3-(2,2,2-trifluoroethylamino)propan-1-ol

C13H21F3N4O — CID 166657282

IUPAC2-[(5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl)methyl]-3-(2,2,2-trifluoroethylamino)propan-1-ol
SMILESCN1CCc2nn(CC(CO)CNCC(F)(F)F)cc2C1
InChIInChI=1S/C13H21F3N4O/c1-19-3-2-12-11(6-19)7-20(18-12)5-10(8-21)4-17-9-13(14,15)16/h7,10,17,21H,2-6,8-9H2,1H3
InChIKeyNWRVWPKAJGIMCL-UHFFFAOYSA-N
MW306.33 g/mol
LogP0.63
Rot. Bonds6

About 2-[(5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl)methyl]-3-(2,2,2-trifluoroethylamino)propan-1-ol

2-[(5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl)methyl]-3-(2,2,2-trifluoroethylamino)propan-1-ol (PubChem CID 166657282) has the molecular formula C13H21F3N4O and a molecular weight of 306.33 g/mol. Its IUPAC name is 2-[(5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl)methyl]-3-(2,2,2-trifluoroethylamino)propan-1-ol.

Molecular Properties

Compound Name2-[(5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl)methyl]-3-(2,2,2-trifluoroethylamino)propan-1-ol
PubChem CID166657282
Molecular FormulaC13H21F3N4O
Molecular Weight306.33 g/mol
Exact Mass306.17
IUPAC Name2-[(5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl)methyl]-3-(2,2,2-trifluoroethylamino)propan-1-ol
SMILESCN1CCc2nn(CC(CO)CNCC(F)(F)F)cc2C1
InChIInChI=1S/C13H21F3N4O/c1-19-3-2-12-11(6-19)7-20(18-12)5-10(8-21)4-17-9-13(14,15)16/h7,10,17,21H,2-6,8-9H2,1H3
InChIKeyNWRVWPKAJGIMCL-UHFFFAOYSA-N
XLogP0.63
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl)methyl]-3-(2,2,2-trifluoroethylamino)propan-1-ol?
The IUPAC name of 2-[(5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl)methyl]-3-(2,2,2-trifluoroethylamino)propan-1-ol (CID 166657282) is 2-[(5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl)methyl]-3-(2,2,2-trifluoroethylamino)propan-1-ol.
What is the SMILES notation for 2-[(5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl)methyl]-3-(2,2,2-trifluoroethylamino)propan-1-ol?
The canonical SMILES for 2-[(5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl)methyl]-3-(2,2,2-trifluoroethylamino)propan-1-ol is CN1CCc2nn(CC(CO)CNCC(F)(F)F)cc2C1.
What is the InChIKey of 2-[(5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl)methyl]-3-(2,2,2-trifluoroethylamino)propan-1-ol?
The InChIKey is NWRVWPKAJGIMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N4O/c1-19-3-2-12-11(6-19)7-20(18-12)5-10(8-21)4-17-9-13(14,15)16/h7,10,17,21H,2-6,8-9H2,1H3.
What are the key properties of 2-[(5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl)methyl]-3-(2,2,2-trifluoroethylamino)propan-1-ol?
2-[(5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl)methyl]-3-(2,2,2-trifluoroethylamino)propan-1-ol has a molecular weight of 306.33 g/mol, XLogP of 0.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl)methyl]-3-(2,2,2-trifluoroethylamino)propan-1-ol is sourced from PubChem (CID 166657282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).