1-(3-hydroxypropyl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid

C17H18F3N3O3 — CID 22293659

IUPAC1-(3-hydroxypropyl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid
SMILESO=C(O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2CCCO)C1
InChIInChI=1S/C17H18F3N3O3/c18-17(19,20)12-4-2-11(3-5-12)15-13-10-22(16(25)26)8-6-14(13)23(21-15)7-1-9-24/h2-5,24H,1,6-10H2,(H,25,26)
InChIKeyMUMSEAIVRXZQKU-UHFFFAOYSA-N
MW369.34 g/mol
LogP2.99
Rot. Bonds4

About 1-(3-hydroxypropyl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid

1-(3-hydroxypropyl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid (PubChem CID 22293659) has the molecular formula C17H18F3N3O3 and a molecular weight of 369.34 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid
PubChem CID22293659
Molecular FormulaC17H18F3N3O3
Molecular Weight369.34 g/mol
Exact Mass369.13
IUPAC Name1-(3-hydroxypropyl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid
SMILESO=C(O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2CCCO)C1
InChIInChI=1S/C17H18F3N3O3/c18-17(19,20)12-4-2-11(3-5-12)15-13-10-22(16(25)26)8-6-14(13)23(21-15)7-1-9-24/h2-5,24H,1,6-10H2,(H,25,26)
InChIKeyMUMSEAIVRXZQKU-UHFFFAOYSA-N
XLogP2.99
TPSA78.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.34
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid?
The IUPAC name of 1-(3-hydroxypropyl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid (CID 22293659) is 1-(3-hydroxypropyl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid.
What is the SMILES notation for 1-(3-hydroxypropyl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid?
The canonical SMILES for 1-(3-hydroxypropyl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid is O=C(O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2CCCO)C1.
What is the InChIKey of 1-(3-hydroxypropyl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid?
The InChIKey is MUMSEAIVRXZQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O3/c18-17(19,20)12-4-2-11(3-5-12)15-13-10-22(16(25)26)8-6-14(13)23(21-15)7-1-9-24/h2-5,24H,1,6-10H2,(H,25,26).
What are the key properties of 1-(3-hydroxypropyl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid?
1-(3-hydroxypropyl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid has a molecular weight of 369.34 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid is sourced from PubChem (CID 22293659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).