3-methyl-1-[(3S)-piperidin-3-yl]pyrazole-4-carboxylic acid

C10H15N3O2 — CID 124510052

IUPAC3-methyl-1-[(3S)-piperidin-3-yl]pyrazole-4-carboxylic acid
SMILESCc1nn([C@H]2CCCNC2)cc1C(=O)O
InChIInChI=1S/C10H15N3O2/c1-7-9(10(14)15)6-13(12-7)8-3-2-4-11-5-8/h6,8,11H,2-5H2,1H3,(H,14,15)/t8-/m0/s1
InChIKeyHYMNWVYYTVDSDL-QMMMGPOBSA-N
MW209.25 g/mol
LogP0.81
Rot. Bonds2

About 3-methyl-1-[(3S)-piperidin-3-yl]pyrazole-4-carboxylic acid

3-methyl-1-[(3S)-piperidin-3-yl]pyrazole-4-carboxylic acid (PubChem CID 124510052) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-methyl-1-[(3S)-piperidin-3-yl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[(3S)-piperidin-3-yl]pyrazole-4-carboxylic acid
PubChem CID124510052
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name3-methyl-1-[(3S)-piperidin-3-yl]pyrazole-4-carboxylic acid
SMILESCc1nn([C@H]2CCCNC2)cc1C(=O)O
InChIInChI=1S/C10H15N3O2/c1-7-9(10(14)15)6-13(12-7)8-3-2-4-11-5-8/h6,8,11H,2-5H2,1H3,(H,14,15)/t8-/m0/s1
InChIKeyHYMNWVYYTVDSDL-QMMMGPOBSA-N
XLogP0.81
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-oxo-1-piperidin-3-ylpyrimidine-5-carboxylic acid
CID 115114288
1-cyclohexyl-3-methylpyrazole-4-carbonyl chloride
CID 83814232
3-methyl-1-[(2S)-oxan-2-yl]pyrazole-4-carboxylic acid
CID 129390500
1-(1-piperidin-3-yltriazol-4-yl)ethanone
CID 164663675
methyl 1-piperidin-3-yl-1,2,4-triazole-3-carboxylate
CID 163353124
2-piperidin-3-ylindazole-7-carboxamide;2,2,2-trifluoroacetic acid
CID 171925444
2-(1-cyclobutyl-3-methylpyrazol-4-yl)acetic acid
CID 112712810
1-cyclohexyl-3-(4-methylphenyl)pyrazole-4-carboxylic acid
CID 61272403
3-tert-butyl-1-cyclohexylpyrazole-4-carboxylic acid
CID 61270272
1-cyclopentyl-3-(2,5-dimethylfuran-3-yl)pyrazole-4-carboxylic acid
CID 61264746
(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-(1-piperidin-3-ylpyrazol-4-yl)methanone
CID 167927902
(3R)-3-(4-tert-butylpyrazol-1-yl)piperidine
CID 170927501

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(3S)-piperidin-3-yl]pyrazole-4-carboxylic acid?
The IUPAC name of 3-methyl-1-[(3S)-piperidin-3-yl]pyrazole-4-carboxylic acid (CID 124510052) is 3-methyl-1-[(3S)-piperidin-3-yl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[(3S)-piperidin-3-yl]pyrazole-4-carboxylic acid?
The canonical SMILES for 3-methyl-1-[(3S)-piperidin-3-yl]pyrazole-4-carboxylic acid is Cc1nn([C@H]2CCCNC2)cc1C(=O)O.
What is the InChIKey of 3-methyl-1-[(3S)-piperidin-3-yl]pyrazole-4-carboxylic acid?
The InChIKey is HYMNWVYYTVDSDL-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-7-9(10(14)15)6-13(12-7)8-3-2-4-11-5-8/h6,8,11H,2-5H2,1H3,(H,14,15)/t8-/m0/s1.
What are the key properties of 3-methyl-1-[(3S)-piperidin-3-yl]pyrazole-4-carboxylic acid?
3-methyl-1-[(3S)-piperidin-3-yl]pyrazole-4-carboxylic acid has a molecular weight of 209.25 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(3S)-piperidin-3-yl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 124510052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).