1-(1,3-dimethylpyrazole-4-carbonyl)-4-phenylpiperidine-4-carboxylic acid

C18H21N3O3 — CID 75513234

IUPAC1-(1,3-dimethylpyrazole-4-carbonyl)-4-phenylpiperidine-4-carboxylic acid
SMILESCc1nn(C)cc1C(=O)N1CCC(C(=O)O)(c2ccccc2)CC1
InChIInChI=1S/C18H21N3O3/c1-13-15(12-20(2)19-13)16(22)21-10-8-18(9-11-21,17(23)24)14-6-4-3-5-7-14/h3-7,12H,8-11H2,1-2H3,(H,23,24)
InChIKeyUGYFSXSNJIKYMK-UHFFFAOYSA-N
MW327.38 g/mol
LogP1.99
Rot. Bonds3

About 1-(1,3-dimethylpyrazole-4-carbonyl)-4-phenylpiperidine-4-carboxylic acid

1-(1,3-dimethylpyrazole-4-carbonyl)-4-phenylpiperidine-4-carboxylic acid (PubChem CID 75513234) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazole-4-carbonyl)-4-phenylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazole-4-carbonyl)-4-phenylpiperidine-4-carboxylic acid
PubChem CID75513234
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name1-(1,3-dimethylpyrazole-4-carbonyl)-4-phenylpiperidine-4-carboxylic acid
SMILESCc1nn(C)cc1C(=O)N1CCC(C(=O)O)(c2ccccc2)CC1
InChIInChI=1S/C18H21N3O3/c1-13-15(12-20(2)19-13)16(22)21-10-8-18(9-11-21,17(23)24)14-6-4-3-5-7-14/h3-7,12H,8-11H2,1-2H3,(H,23,24)
InChIKeyUGYFSXSNJIKYMK-UHFFFAOYSA-N
XLogP1.99
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1,3-dimethylpyrazole-4-carbonyl)-4-phenylpiperidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-methyl-1-phenylpyrazole-4-carbonyl)-4-phenylpiperidine-4-carboxylic acid
CID 119168408
1-(1-methyl-3-thiophen-2-ylpyrazole-4-carbonyl)-4-phenylpiperidine-4-carboxylic acid
CID 120512861
1-(1,3-dimethylpyrazole-4-carbonyl)-4-methylpiperidine-4-carbothioamide
CID 107161004
1-benzoyl-4-phenylpiperidine-4-carboxylic acid
CID 22240952
1-(2-methylsulfanylbenzoyl)-4-phenylpiperidine-4-carboxylic acid
CID 45433466
1-(4-methyl-1,3-thiazole-5-carbonyl)-4-phenylpiperidine-4-carboxylic acid
CID 119136798
8-(1,3-dimethylpyrazole-4-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one
CID 70778379
1-(5-methyl-2-nitrobenzoyl)-4-phenylpiperidine-4-carboxylic acid
CID 120512896
1-(2,5-dichlorobenzoyl)-4-phenylpiperidine-4-carboxylic acid
CID 45433248
1,3-dimethylpyrazole-4-carboxylic acid;ethane
CID 142969611
[4-(1,3-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 844559
(1,3-dimethylpyrazol-4-yl)-[(3R)-4-methyl-3-phenylpiperazin-1-yl]methanone
CID 125001754

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazole-4-carbonyl)-4-phenylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(1,3-dimethylpyrazole-4-carbonyl)-4-phenylpiperidine-4-carboxylic acid (CID 75513234) is 1-(1,3-dimethylpyrazole-4-carbonyl)-4-phenylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(1,3-dimethylpyrazole-4-carbonyl)-4-phenylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(1,3-dimethylpyrazole-4-carbonyl)-4-phenylpiperidine-4-carboxylic acid is Cc1nn(C)cc1C(=O)N1CCC(C(=O)O)(c2ccccc2)CC1.
What is the InChIKey of 1-(1,3-dimethylpyrazole-4-carbonyl)-4-phenylpiperidine-4-carboxylic acid?
The InChIKey is UGYFSXSNJIKYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-13-15(12-20(2)19-13)16(22)21-10-8-18(9-11-21,17(23)24)14-6-4-3-5-7-14/h3-7,12H,8-11H2,1-2H3,(H,23,24).
What are the key properties of 1-(1,3-dimethylpyrazole-4-carbonyl)-4-phenylpiperidine-4-carboxylic acid?
1-(1,3-dimethylpyrazole-4-carbonyl)-4-phenylpiperidine-4-carboxylic acid has a molecular weight of 327.38 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazole-4-carbonyl)-4-phenylpiperidine-4-carboxylic acid is sourced from PubChem (CID 75513234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).