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

C19H23FN4O3 — CID 122089636

IUPAC1-[[1-(3-fluorophenyl)-5-propylpyrazol-4-yl]carbamoyl]piperidine-3-carboxylic acid
SMILESCCCc1c(NC(=O)N2CCCC(C(=O)O)C2)cnn1-c1cccc(F)c1
InChIInChI=1S/C19H23FN4O3/c1-2-5-17-16(11-21-24(17)15-8-3-7-14(20)10-15)22-19(27)23-9-4-6-13(12-23)18(25)26/h3,7-8,10-11,13H,2,4-6,9,12H2,1H3,(H,22,27)(H,25,26)
InChIKeyFUAQOTQPIYDVHX-UHFFFAOYSA-N
MW374.42 g/mol
LogP3.29
Rot. Bonds5

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

1-[[1-(3-fluorophenyl)-5-propylpyrazol-4-yl]carbamoyl]piperidine-3-carboxylic acid (PubChem CID 122089636) has the molecular formula C19H23FN4O3 and a molecular weight of 374.42 g/mol. Its IUPAC name is 1-[[1-(3-fluorophenyl)-5-propylpyrazol-4-yl]carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[1-(3-fluorophenyl)-5-propylpyrazol-4-yl]carbamoyl]piperidine-3-carboxylic acid
PubChem CID122089636
Molecular FormulaC19H23FN4O3
Molecular Weight374.42 g/mol
Exact Mass374.18
IUPAC Name1-[[1-(3-fluorophenyl)-5-propylpyrazol-4-yl]carbamoyl]piperidine-3-carboxylic acid
SMILESCCCc1c(NC(=O)N2CCCC(C(=O)O)C2)cnn1-c1cccc(F)c1
InChIInChI=1S/C19H23FN4O3/c1-2-5-17-16(11-21-24(17)15-8-3-7-14(20)10-15)22-19(27)23-9-4-6-13(12-23)18(25)26/h3,7-8,10-11,13H,2,4-6,9,12H2,1H3,(H,22,27)(H,25,26)
InChIKeyFUAQOTQPIYDVHX-UHFFFAOYSA-N
XLogP3.29
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[1-(3-methylphenyl)-5-propylpyrazol-4-yl]carbamoyl]piperidine-4-carboxylic acid
CID 122091731
1-[[1-(3-cyanophenyl)-5-propylpyrazol-4-yl]carbamoyl]piperidine-4-carboxylic acid
CID 122090975
(3R)-1-N-(5-ethyl-1-phenylpyrazol-4-yl)piperidine-1,3-dicarboxamide
CID 124843438
3-[[1-(3-fluorophenyl)-5-propylpyrazol-4-yl]carbamoylamino]propanoic acid
CID 122089630
5-methyl-1-[[1-(4-methylphenyl)-5-propylpyrazol-4-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122102969
N-[1-(3-fluorophenyl)-5-propylpyrazol-4-yl]-5-methyl-1,3,4-thiadiazole-2-carboxamide
CID 167852484
1-[(2-ethoxy-4-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 122076630
1-[(2-bromo-4-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318584
(3S)-1-[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]piperidine-3-carboxylic acid
CID 119173520
(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

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(3-fluorophenyl)-5-propylpyrazol-4-yl]carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[[1-(3-fluorophenyl)-5-propylpyrazol-4-yl]carbamoyl]piperidine-3-carboxylic acid (CID 122089636) is 1-[[1-(3-fluorophenyl)-5-propylpyrazol-4-yl]carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[[1-(3-fluorophenyl)-5-propylpyrazol-4-yl]carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[[1-(3-fluorophenyl)-5-propylpyrazol-4-yl]carbamoyl]piperidine-3-carboxylic acid is CCCc1c(NC(=O)N2CCCC(C(=O)O)C2)cnn1-c1cccc(F)c1.
What is the InChIKey of 1-[[1-(3-fluorophenyl)-5-propylpyrazol-4-yl]carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is FUAQOTQPIYDVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O3/c1-2-5-17-16(11-21-24(17)15-8-3-7-14(20)10-15)22-19(27)23-9-4-6-13(12-23)18(25)26/h3,7-8,10-11,13H,2,4-6,9,12H2,1H3,(H,22,27)(H,25,26).
What are the key properties of 1-[[1-(3-fluorophenyl)-5-propylpyrazol-4-yl]carbamoyl]piperidine-3-carboxylic acid?
1-[[1-(3-fluorophenyl)-5-propylpyrazol-4-yl]carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 374.42 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(3-fluorophenyl)-5-propylpyrazol-4-yl]carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122089636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).