1-[[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]carbamoyl]piperidine-4-carboxylic acid

C20H25FN4O3 — CID 122075912

IUPAC1-[[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]carbamoyl]piperidine-4-carboxylic acid
SMILESCC(C)(C)c1cc(NC(=O)N2CCC(C(=O)O)CC2)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C20H25FN4O3/c1-20(2,3)16-12-17(25(23-16)15-6-4-14(21)5-7-15)22-19(28)24-10-8-13(9-11-24)18(26)27/h4-7,12-13H,8-11H2,1-3H3,(H,22,28)(H,26,27)
InChIKeyLLPXBKGWUGKSNQ-UHFFFAOYSA-N
MW388.44 g/mol
LogP3.64
Rot. Bonds3

About 1-[[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]carbamoyl]piperidine-4-carboxylic acid

1-[[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]carbamoyl]piperidine-4-carboxylic acid (PubChem CID 122075912) has the molecular formula C20H25FN4O3 and a molecular weight of 388.44 g/mol. Its IUPAC name is 1-[[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]carbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]carbamoyl]piperidine-4-carboxylic acid
PubChem CID122075912
Molecular FormulaC20H25FN4O3
Molecular Weight388.44 g/mol
Exact Mass388.19
IUPAC Name1-[[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]carbamoyl]piperidine-4-carboxylic acid
SMILESCC(C)(C)c1cc(NC(=O)N2CCC(C(=O)O)CC2)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C20H25FN4O3/c1-20(2,3)16-12-17(25(23-16)15-6-4-14(21)5-7-15)22-19(28)24-10-8-13(9-11-24)18(26)27/h4-7,12-13H,8-11H2,1-3H3,(H,22,28)(H,26,27)
InChIKeyLLPXBKGWUGKSNQ-UHFFFAOYSA-N
XLogP3.64
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]carbamoyl]piperidine-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

N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-4-(dimethylamino)piperidine-1-carboxamide
CID 126768402
N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]oxolane-3-carboxamide
CID 75921275
N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-3-cyclopentylpropanamide
CID 42731482
1-[(1,3-ditert-butylpyrazol-5-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122079262
3-tert-butyl-1-(4-fluorophenyl)-N-methylpyrazol-5-amine
CID 137395749
N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-2-(2-oxoazocan-1-yl)acetamide
CID 55760969
1-[(2,4-difluorophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 16770140
4-[[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]carbamoylamino]butanoic acid
CID 122075911
ethyl (3R)-1-[4-[[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]amino]-4-oxobutanoyl]piperidine-3-carboxylate
CID 92518145
N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]naphthalene-1-carboxamide
CID 142696740
[2-[[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]amino]-2-oxo-1-phenylethyl] acetate
CID 24720270
[2-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 42407622

Frequently Asked Questions

What is the IUPAC name of 1-[[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]carbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]carbamoyl]piperidine-4-carboxylic acid (CID 122075912) is 1-[[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]carbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]carbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]carbamoyl]piperidine-4-carboxylic acid is CC(C)(C)c1cc(NC(=O)N2CCC(C(=O)O)CC2)n(-c2ccc(F)cc2)n1.
What is the InChIKey of 1-[[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]carbamoyl]piperidine-4-carboxylic acid?
The InChIKey is LLPXBKGWUGKSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O3/c1-20(2,3)16-12-17(25(23-16)15-6-4-14(21)5-7-15)22-19(28)24-10-8-13(9-11-24)18(26)27/h4-7,12-13H,8-11H2,1-3H3,(H,22,28)(H,26,27).
What are the key properties of 1-[[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]carbamoyl]piperidine-4-carboxylic acid?
1-[[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]carbamoyl]piperidine-4-carboxylic acid has a molecular weight of 388.44 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]carbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 122075912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).