1-[2-(dimethylamino)ethyl]-5-[1-(trifluoromethyl)cyclopropanecarbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid

C16H21F3N4O3 — CID 56713415

IUPAC1-[2-(dimethylamino)ethyl]-5-[1-(trifluoromethyl)cyclopropanecarbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESCN(C)CCn1nc(C(=O)O)c2c1CCN(C(=O)C1(C(F)(F)F)CC1)C2
InChIInChI=1S/C16H21F3N4O3/c1-21(2)7-8-23-11-3-6-22(9-10(11)12(20-23)13(24)25)14(26)15(4-5-15)16(17,18)19/h3-9H2,1-2H3,(H,24,25)
InChIKeyDFTSOYAMMATESB-UHFFFAOYSA-N
MW374.36 g/mol
LogP1.37
Rot. Bonds5

About 1-[2-(dimethylamino)ethyl]-5-[1-(trifluoromethyl)cyclopropanecarbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid

1-[2-(dimethylamino)ethyl]-5-[1-(trifluoromethyl)cyclopropanecarbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid (PubChem CID 56713415) has the molecular formula C16H21F3N4O3 and a molecular weight of 374.36 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-5-[1-(trifluoromethyl)cyclopropanecarbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-5-[1-(trifluoromethyl)cyclopropanecarbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
PubChem CID56713415
Molecular FormulaC16H21F3N4O3
Molecular Weight374.36 g/mol
Exact Mass374.16
IUPAC Name1-[2-(dimethylamino)ethyl]-5-[1-(trifluoromethyl)cyclopropanecarbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESCN(C)CCn1nc(C(=O)O)c2c1CCN(C(=O)C1(C(F)(F)F)CC1)C2
InChIInChI=1S/C16H21F3N4O3/c1-21(2)7-8-23-11-3-6-22(9-10(11)12(20-23)13(24)25)14(26)15(4-5-15)16(17,18)19/h3-9H2,1-2H3,(H,24,25)
InChIKeyDFTSOYAMMATESB-UHFFFAOYSA-N
XLogP1.37
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-5-[1-(trifluoromethyl)cyclopropanecarbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-5-[1-(trifluoromethyl)cyclopropanecarbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid (CID 56713415) is 1-[2-(dimethylamino)ethyl]-5-[1-(trifluoromethyl)cyclopropanecarbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-5-[1-(trifluoromethyl)cyclopropanecarbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-5-[1-(trifluoromethyl)cyclopropanecarbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid is CN(C)CCn1nc(C(=O)O)c2c1CCN(C(=O)C1(C(F)(F)F)CC1)C2.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-5-[1-(trifluoromethyl)cyclopropanecarbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The InChIKey is DFTSOYAMMATESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N4O3/c1-21(2)7-8-23-11-3-6-22(9-10(11)12(20-23)13(24)25)14(26)15(4-5-15)16(17,18)19/h3-9H2,1-2H3,(H,24,25).
What are the key properties of 1-[2-(dimethylamino)ethyl]-5-[1-(trifluoromethyl)cyclopropanecarbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
1-[2-(dimethylamino)ethyl]-5-[1-(trifluoromethyl)cyclopropanecarbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid has a molecular weight of 374.36 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-5-[1-(trifluoromethyl)cyclopropanecarbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 56713415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).