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

C16H16F3N3O3 — CID 118561639

IUPAC1-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylic acid
SMILESCOc1ccc(Cn2nc(C(F)(F)F)c3c2CN(C(=O)O)CC3)cc1
InChIInChI=1S/C16H16F3N3O3/c1-25-11-4-2-10(3-5-11)8-22-13-9-21(15(23)24)7-6-12(13)14(20-22)16(17,18)19/h2-5H,6-9H2,1H3,(H,23,24)
InChIKeyVCUPZVVUCMKOTM-UHFFFAOYSA-N
MW355.32 g/mol
LogP2.99
Rot. Bonds3

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

1-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylic acid (PubChem CID 118561639) has the molecular formula C16H16F3N3O3 and a molecular weight of 355.32 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylic acid
PubChem CID118561639
Molecular FormulaC16H16F3N3O3
Molecular Weight355.32 g/mol
Exact Mass355.11
IUPAC Name1-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylic acid
SMILESCOc1ccc(Cn2nc(C(F)(F)F)c3c2CN(C(=O)O)CC3)cc1
InChIInChI=1S/C16H16F3N3O3/c1-25-11-4-2-10(3-5-11)8-22-13-9-21(15(23)24)7-6-12(13)14(20-22)16(17,18)19/h2-5H,6-9H2,1H3,(H,23,24)
InChIKeyVCUPZVVUCMKOTM-UHFFFAOYSA-N
XLogP2.99
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylic acid?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylic acid (CID 118561639) is 1-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylic acid.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylic acid?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylic acid is COc1ccc(Cn2nc(C(F)(F)F)c3c2CN(C(=O)O)CC3)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylic acid?
The InChIKey is VCUPZVVUCMKOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O3/c1-25-11-4-2-10(3-5-11)8-22-13-9-21(15(23)24)7-6-12(13)14(20-22)16(17,18)19/h2-5H,6-9H2,1H3,(H,23,24).
What are the key properties of 1-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylic acid?
1-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylic acid has a molecular weight of 355.32 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 118561639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).