5-(4,4-difluoropiperidin-1-yl)-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid

C16H23F2N3O2 — CID 56713709

IUPAC5-(4,4-difluoropiperidin-1-yl)-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
SMILESCCCn1nc(C(=O)O)c2c1CCC(N1CCC(F)(F)CC1)C2
InChIInChI=1S/C16H23F2N3O2/c1-2-7-21-13-4-3-11(10-12(13)14(19-21)15(22)23)20-8-5-16(17,18)6-9-20/h11H,2-10H2,1H3,(H,22,23)
InChIKeyHJGHDQWIHGSKQD-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.58
Rot. Bonds4

About 5-(4,4-difluoropiperidin-1-yl)-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid

5-(4,4-difluoropiperidin-1-yl)-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid (PubChem CID 56713709) has the molecular formula C16H23F2N3O2 and a molecular weight of 327.38 g/mol. Its IUPAC name is 5-(4,4-difluoropiperidin-1-yl)-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(4,4-difluoropiperidin-1-yl)-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
PubChem CID56713709
Molecular FormulaC16H23F2N3O2
Molecular Weight327.38 g/mol
Exact Mass327.18
IUPAC Name5-(4,4-difluoropiperidin-1-yl)-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
SMILESCCCn1nc(C(=O)O)c2c1CCC(N1CCC(F)(F)CC1)C2
InChIInChI=1S/C16H23F2N3O2/c1-2-7-21-13-4-3-11(10-12(13)14(19-21)15(22)23)20-8-5-16(17,18)6-9-20/h11H,2-10H2,1H3,(H,22,23)
InChIKeyHJGHDQWIHGSKQD-UHFFFAOYSA-N
XLogP2.58
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(4,4-difluoropiperidin-1-yl)-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid with MolForge

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Related Compounds

2-Methyl-4,5,6,7-tetrahydro-2H-indazole-3-carboxylic acid
CID 850411
1-Methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
CID 24271319
2-ethyl-4,5,6,7-tetrahydro-2H-indazole-3-carboxylic acid
CID 6498680
3-methyl-4H,5H,6H,7H-pyrazolo(1,5-a)pyridine-2-carboxylic acid
CID 84110140
1-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid hydrochloride
CID 121552990
(5S)-5-[methyl-[(3-methyloxetan-3-yl)methyl]amino]-1-prop-2-enyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 95197439
(5S)-5-[2-(dimethylamino)ethyl-methylamino]-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 95202728
(5S)-1-prop-2-enyl-5-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 95205083
(5S)-1-ethyl-5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 95205641
(5S)-5-[methyl(prop-2-ynyl)amino]-1-prop-2-enyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 95208096
(5S)-5-(4-methoxypiperidin-1-yl)-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 95213336
1-Ethyl-6,6-difluoro-4,5,6,7-tetrahydro-1h-indazole-3-carboxylic acid
CID 58559026

Frequently Asked Questions

What is the IUPAC name of 5-(4,4-difluoropiperidin-1-yl)-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid?
The IUPAC name of 5-(4,4-difluoropiperidin-1-yl)-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid (CID 56713709) is 5-(4,4-difluoropiperidin-1-yl)-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid.
What is the SMILES notation for 5-(4,4-difluoropiperidin-1-yl)-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid?
The canonical SMILES for 5-(4,4-difluoropiperidin-1-yl)-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid is CCCn1nc(C(=O)O)c2c1CCC(N1CCC(F)(F)CC1)C2.
What is the InChIKey of 5-(4,4-difluoropiperidin-1-yl)-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid?
The InChIKey is HJGHDQWIHGSKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N3O2/c1-2-7-21-13-4-3-11(10-12(13)14(19-21)15(22)23)20-8-5-16(17,18)6-9-20/h11H,2-10H2,1H3,(H,22,23).
What are the key properties of 5-(4,4-difluoropiperidin-1-yl)-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid?
5-(4,4-difluoropiperidin-1-yl)-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid has a molecular weight of 327.38 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-difluoropiperidin-1-yl)-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid is sourced from PubChem (CID 56713709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).