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

C17H20N4O3 — CID 122087339

IUPAC1-[(5-methyl-1-phenylpyrazol-4-yl)carbamoyl]piperidine-4-carboxylic acid
SMILESCc1c(NC(=O)N2CCC(C(=O)O)CC2)cnn1-c1ccccc1
InChIInChI=1S/C17H20N4O3/c1-12-15(11-18-21(12)14-5-3-2-4-6-14)19-17(24)20-9-7-13(8-10-20)16(22)23/h2-6,11,13H,7-10H2,1H3,(H,19,24)(H,22,23)
InChIKeyPYCKOSRTTFWIJG-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.51
Rot. Bonds3

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

1-[(5-methyl-1-phenylpyrazol-4-yl)carbamoyl]piperidine-4-carboxylic acid (PubChem CID 122087339) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 1-[(5-methyl-1-phenylpyrazol-4-yl)carbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(5-methyl-1-phenylpyrazol-4-yl)carbamoyl]piperidine-4-carboxylic acid
PubChem CID122087339
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name1-[(5-methyl-1-phenylpyrazol-4-yl)carbamoyl]piperidine-4-carboxylic acid
SMILESCc1c(NC(=O)N2CCC(C(=O)O)CC2)cnn1-c1ccccc1
InChIInChI=1S/C17H20N4O3/c1-12-15(11-18-21(12)14-5-3-2-4-6-14)19-17(24)20-9-7-13(8-10-20)16(22)23/h2-6,11,13H,7-10H2,1H3,(H,19,24)(H,22,23)
InChIKeyPYCKOSRTTFWIJG-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(5-methyl-1-phenylpyrazol-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 128753643
1-[[1-(3-methylphenyl)-5-propylpyrazol-4-yl]carbamoyl]piperidine-4-carboxylic acid
CID 122091731
1-[[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122087409
(9aS)-N-(5-methyl-1-phenylpyrazol-4-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxamide
CID 124885834
1-[(2-bromophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 43318513
1-[[1-(3-cyanophenyl)-5-propylpyrazol-4-yl]carbamoyl]piperidine-4-carboxylic acid
CID 122090975
1-[(2-cyano-3-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 107799995
N-(5-methyl-1-phenylpyrazol-4-yl)pyridine-4-carboxamide
CID 11242907
1-[[1-(2-methylpropyl)-5-propan-2-ylpyrazol-4-yl]carbamoyl]piperidine-4-carboxylic acid
CID 122088382
1-[(3-bromo-2-chlorophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122093009
1-[(2-phenylpyrimidin-5-yl)carbamoyl]piperidine-4-carboxylic acid
CID 122076993
(3R)-1-N-(5-ethyl-1-phenylpyrazol-4-yl)piperidine-1,3-dicarboxamide
CID 124843438

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1-phenylpyrazol-4-yl)carbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(5-methyl-1-phenylpyrazol-4-yl)carbamoyl]piperidine-4-carboxylic acid (CID 122087339) is 1-[(5-methyl-1-phenylpyrazol-4-yl)carbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(5-methyl-1-phenylpyrazol-4-yl)carbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(5-methyl-1-phenylpyrazol-4-yl)carbamoyl]piperidine-4-carboxylic acid is Cc1c(NC(=O)N2CCC(C(=O)O)CC2)cnn1-c1ccccc1.
What is the InChIKey of 1-[(5-methyl-1-phenylpyrazol-4-yl)carbamoyl]piperidine-4-carboxylic acid?
The InChIKey is PYCKOSRTTFWIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-12-15(11-18-21(12)14-5-3-2-4-6-14)19-17(24)20-9-7-13(8-10-20)16(22)23/h2-6,11,13H,7-10H2,1H3,(H,19,24)(H,22,23).
What are the key properties of 1-[(5-methyl-1-phenylpyrazol-4-yl)carbamoyl]piperidine-4-carboxylic acid?
1-[(5-methyl-1-phenylpyrazol-4-yl)carbamoyl]piperidine-4-carboxylic acid has a molecular weight of 328.37 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1-phenylpyrazol-4-yl)carbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 122087339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).