1-[[1-(3-methylphenyl)-5-propylpyrazol-4-yl]carbamoyl]piperidine-4-carboxylic acid

C20H26N4O3 — CID 122091731

IUPAC1-[[1-(3-methylphenyl)-5-propylpyrazol-4-yl]carbamoyl]piperidine-4-carboxylic acid
SMILESCCCc1c(NC(=O)N2CCC(C(=O)O)CC2)cnn1-c1cccc(C)c1
InChIInChI=1S/C20H26N4O3/c1-3-5-18-17(13-21-24(18)16-7-4-6-14(2)12-16)22-20(27)23-10-8-15(9-11-23)19(25)26/h4,6-7,12-13,15H,3,5,8-11H2,1-2H3,(H,22,27)(H,25,26)
InChIKeyPFVZKERJXGOOED-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.46
Rot. Bonds5

About 1-[[1-(3-methylphenyl)-5-propylpyrazol-4-yl]carbamoyl]piperidine-4-carboxylic acid

1-[[1-(3-methylphenyl)-5-propylpyrazol-4-yl]carbamoyl]piperidine-4-carboxylic acid (PubChem CID 122091731) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 1-[[1-(3-methylphenyl)-5-propylpyrazol-4-yl]carbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[[1-(3-methylphenyl)-5-propylpyrazol-4-yl]carbamoyl]piperidine-4-carboxylic acid
PubChem CID122091731
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name1-[[1-(3-methylphenyl)-5-propylpyrazol-4-yl]carbamoyl]piperidine-4-carboxylic acid
SMILESCCCc1c(NC(=O)N2CCC(C(=O)O)CC2)cnn1-c1cccc(C)c1
InChIInChI=1S/C20H26N4O3/c1-3-5-18-17(13-21-24(18)16-7-4-6-14(2)12-16)22-20(27)23-10-8-15(9-11-23)19(25)26/h4,6-7,12-13,15H,3,5,8-11H2,1-2H3,(H,22,27)(H,25,26)
InChIKeyPFVZKERJXGOOED-UHFFFAOYSA-N
XLogP3.46
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[1-(3-cyanophenyl)-5-propylpyrazol-4-yl]carbamoyl]piperidine-4-carboxylic acid
CID 122090975
1-[[1-(3-fluorophenyl)-5-propylpyrazol-4-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122089636
5-methyl-1-[[1-(4-methylphenyl)-5-propylpyrazol-4-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122102969
1-[(5-methyl-1-phenylpyrazol-4-yl)carbamoyl]piperidine-4-carboxylic acid
CID 122087339
4-methyl-4-[[1-(3-methylphenyl)-5-propylpyrazol-4-yl]carbamoylamino]pentanoic acid
CID 122091735
1-[(3-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 16772166
1-[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 119354409
1-[[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122087409
5-cyclohexyl-1-(3-methylphenyl)pyrazole-4-carboxylic acid
CID 82361438
(3R)-1-N-(5-ethyl-1-phenylpyrazol-4-yl)piperidine-1,3-dicarboxamide
CID 124843438
1-(3-methylphenyl)piperidine-4-carboxylic acid
CID 59023368
N-[1-(3-fluorophenyl)-5-propylpyrazol-4-yl]-5-methyl-1,3,4-thiadiazole-2-carboxamide
CID 167852484

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(3-methylphenyl)-5-propylpyrazol-4-yl]carbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[[1-(3-methylphenyl)-5-propylpyrazol-4-yl]carbamoyl]piperidine-4-carboxylic acid (CID 122091731) is 1-[[1-(3-methylphenyl)-5-propylpyrazol-4-yl]carbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[[1-(3-methylphenyl)-5-propylpyrazol-4-yl]carbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[[1-(3-methylphenyl)-5-propylpyrazol-4-yl]carbamoyl]piperidine-4-carboxylic acid is CCCc1c(NC(=O)N2CCC(C(=O)O)CC2)cnn1-c1cccc(C)c1.
What is the InChIKey of 1-[[1-(3-methylphenyl)-5-propylpyrazol-4-yl]carbamoyl]piperidine-4-carboxylic acid?
The InChIKey is PFVZKERJXGOOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-3-5-18-17(13-21-24(18)16-7-4-6-14(2)12-16)22-20(27)23-10-8-15(9-11-23)19(25)26/h4,6-7,12-13,15H,3,5,8-11H2,1-2H3,(H,22,27)(H,25,26).
What are the key properties of 1-[[1-(3-methylphenyl)-5-propylpyrazol-4-yl]carbamoyl]piperidine-4-carboxylic acid?
1-[[1-(3-methylphenyl)-5-propylpyrazol-4-yl]carbamoyl]piperidine-4-carboxylic acid has a molecular weight of 370.45 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(3-methylphenyl)-5-propylpyrazol-4-yl]carbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 122091731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).