1-(1-benzyl-5-methylpyrazole-4-carbonyl)-5-methylpiperidine-3-carboxylic acid

C19H23N3O3 — CID 122118733

IUPAC1-(1-benzyl-5-methylpyrazole-4-carbonyl)-5-methylpiperidine-3-carboxylic acid
SMILESCc1c(C(=O)N2CC(C)CC(C(=O)O)C2)cnn1Cc1ccccc1
InChIInChI=1S/C19H23N3O3/c1-13-8-16(19(24)25)12-21(10-13)18(23)17-9-20-22(14(17)2)11-15-6-4-3-5-7-15/h3-7,9,13,16H,8,10-12H2,1-2H3,(H,24,25)
InChIKeyAVQRABDZHUBFKJ-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.42
Rot. Bonds4

About 1-(1-benzyl-5-methylpyrazole-4-carbonyl)-5-methylpiperidine-3-carboxylic acid

1-(1-benzyl-5-methylpyrazole-4-carbonyl)-5-methylpiperidine-3-carboxylic acid (PubChem CID 122118733) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-(1-benzyl-5-methylpyrazole-4-carbonyl)-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1-benzyl-5-methylpyrazole-4-carbonyl)-5-methylpiperidine-3-carboxylic acid
PubChem CID122118733
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name1-(1-benzyl-5-methylpyrazole-4-carbonyl)-5-methylpiperidine-3-carboxylic acid
SMILESCc1c(C(=O)N2CC(C)CC(C(=O)O)C2)cnn1Cc1ccccc1
InChIInChI=1S/C19H23N3O3/c1-13-8-16(19(24)25)12-21(10-13)18(23)17-9-20-22(14(17)2)11-15-6-4-3-5-7-15/h3-7,9,13,16H,8,10-12H2,1-2H3,(H,24,25)
InChIKeyAVQRABDZHUBFKJ-UHFFFAOYSA-N
XLogP2.42
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-1-[5-methyl-1-(3-methylbutyl)pyrazole-4-carbonyl]piperidine-3-carboxylic acid
CID 122117136
benzyl 1-(1-benzyl-5-methylpyrazole-4-carbonyl)azetidine-3-carboxylate
CID 75450681
(1-benzyl-5-methylpyrazol-4-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 86991026
(1-benzyl-5-methylpyrazol-4-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119563358
(1-benzyl-5-methylpyrazol-4-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110023082
(3R)-1-(1-benzyl-5-ethylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 124610594
(1-benzyl-5-methylpyrazol-4-yl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 75440738
2-[(2S)-4-(1-benzyl-5-methylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid
CID 124697770
[3-(1-aminoethyl)piperidin-1-yl]-(1-benzyl-5-methylpyrazol-4-yl)methanone
CID 119596149
1-[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122117087
4-[4-(1-benzyl-5-methylpyrazole-4-carbonyl)piperazin-1-yl]benzamide
CID 86969204
1-[1-[(4-fluorophenyl)methyl]-5-methyltriazole-4-carbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122117353

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-5-methylpyrazole-4-carbonyl)-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(1-benzyl-5-methylpyrazole-4-carbonyl)-5-methylpiperidine-3-carboxylic acid (CID 122118733) is 1-(1-benzyl-5-methylpyrazole-4-carbonyl)-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(1-benzyl-5-methylpyrazole-4-carbonyl)-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(1-benzyl-5-methylpyrazole-4-carbonyl)-5-methylpiperidine-3-carboxylic acid is Cc1c(C(=O)N2CC(C)CC(C(=O)O)C2)cnn1Cc1ccccc1.
What is the InChIKey of 1-(1-benzyl-5-methylpyrazole-4-carbonyl)-5-methylpiperidine-3-carboxylic acid?
The InChIKey is AVQRABDZHUBFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-13-8-16(19(24)25)12-21(10-13)18(23)17-9-20-22(14(17)2)11-15-6-4-3-5-7-15/h3-7,9,13,16H,8,10-12H2,1-2H3,(H,24,25).
What are the key properties of 1-(1-benzyl-5-methylpyrazole-4-carbonyl)-5-methylpiperidine-3-carboxylic acid?
1-(1-benzyl-5-methylpyrazole-4-carbonyl)-5-methylpiperidine-3-carboxylic acid has a molecular weight of 341.41 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-5-methylpyrazole-4-carbonyl)-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122118733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).