1-[(1-methyl-5-phenylpyrazol-4-yl)carbamoyl]piperidine-3-carboxylic acid

C17H20N4O3 — CID 122093530

IUPAC1-[(1-methyl-5-phenylpyrazol-4-yl)carbamoyl]piperidine-3-carboxylic acid
SMILESCn1ncc(NC(=O)N2CCCC(C(=O)O)C2)c1-c1ccccc1
InChIInChI=1S/C17H20N4O3/c1-20-15(12-6-3-2-4-7-12)14(10-18-20)19-17(24)21-9-5-8-13(11-21)16(22)23/h2-4,6-7,10,13H,5,8-9,11H2,1H3,(H,19,24)(H,22,23)
InChIKeyWWLCAULVRJHJHM-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.42
Rot. Bonds3

About 1-[(1-methyl-5-phenylpyrazol-4-yl)carbamoyl]piperidine-3-carboxylic acid

1-[(1-methyl-5-phenylpyrazol-4-yl)carbamoyl]piperidine-3-carboxylic acid (PubChem CID 122093530) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 1-[(1-methyl-5-phenylpyrazol-4-yl)carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(1-methyl-5-phenylpyrazol-4-yl)carbamoyl]piperidine-3-carboxylic acid
PubChem CID122093530
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name1-[(1-methyl-5-phenylpyrazol-4-yl)carbamoyl]piperidine-3-carboxylic acid
SMILESCn1ncc(NC(=O)N2CCCC(C(=O)O)C2)c1-c1ccccc1
InChIInChI=1S/C17H20N4O3/c1-20-15(12-6-3-2-4-7-12)14(10-18-20)19-17(24)21-9-5-8-13(11-21)16(22)23/h2-4,6-7,10,13H,5,8-9,11H2,1H3,(H,19,24)(H,22,23)
InChIKeyWWLCAULVRJHJHM-UHFFFAOYSA-N
XLogP2.42
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(1-methyl-5-phenylpyrazol-4-yl)carbamoyl]piperidine-3-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

5-methyl-1-[(1-methyl-5-phenylpyrazol-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122103131
(3S)-1-(1-methyl-5-phenylpyrazole-4-carbonyl)piperidine-3-carboxylic acid
CID 120514251
N-(1-methyl-5-phenylpyrazol-4-yl)cyclobutanecarboxamide
CID 110664769
(3S)-1-[(2-ethylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512559
1-[(2-ethylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318533
(3R)-1-[(2-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512627
1-(1-methyl-5-phenylpyrazole-4-carbonyl)piperidine-3-carboxamide
CID 146086934
(3R)-1-[(1-methylpyrazol-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81120044
1-[(1-methylpyrazol-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 43535289
1-[[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122092570
1-[(3-chloro-2-methylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318390
1-[(1-methyl-3-phenylpyrazol-4-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122088712

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methyl-5-phenylpyrazol-4-yl)carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(1-methyl-5-phenylpyrazol-4-yl)carbamoyl]piperidine-3-carboxylic acid (CID 122093530) is 1-[(1-methyl-5-phenylpyrazol-4-yl)carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(1-methyl-5-phenylpyrazol-4-yl)carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(1-methyl-5-phenylpyrazol-4-yl)carbamoyl]piperidine-3-carboxylic acid is Cn1ncc(NC(=O)N2CCCC(C(=O)O)C2)c1-c1ccccc1.
What is the InChIKey of 1-[(1-methyl-5-phenylpyrazol-4-yl)carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is WWLCAULVRJHJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-20-15(12-6-3-2-4-7-12)14(10-18-20)19-17(24)21-9-5-8-13(11-21)16(22)23/h2-4,6-7,10,13H,5,8-9,11H2,1H3,(H,19,24)(H,22,23).
What are the key properties of 1-[(1-methyl-5-phenylpyrazol-4-yl)carbamoyl]piperidine-3-carboxylic acid?
1-[(1-methyl-5-phenylpyrazol-4-yl)carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 328.37 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methyl-5-phenylpyrazol-4-yl)carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122093530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).