5-cyclopropyl-1-[3-[3-(2-propylpiperidine-1-carbonyl)cyclohexyl]phenyl]pyrazole-4-carboxylic acid

C28H37N3O3 — CID 126749382

IUPAC5-cyclopropyl-1-[3-[3-(2-propylpiperidine-1-carbonyl)cyclohexyl]phenyl]pyrazole-4-carboxylic acid
SMILESCCCC1CCCCN1C(=O)C1CCCC(c2cccc(-n3ncc(C(=O)O)c3C3CC3)c2)C1
InChIInChI=1S/C28H37N3O3/c1-2-7-23-11-3-4-15-30(23)27(32)22-10-5-8-20(16-22)21-9-6-12-24(17-21)31-26(19-13-14-19)25(18-29-31)28(33)34/h6,9,12,17-20,22-23H,2-5,7-8,10-11,13-16H2,1H3,(H,33,34)
InChIKeyBDQZIUZHYGGIBI-UHFFFAOYSA-N
MW463.62 g/mol
LogP5.90
Rot. Bonds7

About 5-cyclopropyl-1-[3-[3-(2-propylpiperidine-1-carbonyl)cyclohexyl]phenyl]pyrazole-4-carboxylic acid

5-cyclopropyl-1-[3-[3-(2-propylpiperidine-1-carbonyl)cyclohexyl]phenyl]pyrazole-4-carboxylic acid (PubChem CID 126749382) has the molecular formula C28H37N3O3 and a molecular weight of 463.62 g/mol. Its IUPAC name is 5-cyclopropyl-1-[3-[3-(2-propylpiperidine-1-carbonyl)cyclohexyl]phenyl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-1-[3-[3-(2-propylpiperidine-1-carbonyl)cyclohexyl]phenyl]pyrazole-4-carboxylic acid
PubChem CID126749382
Molecular FormulaC28H37N3O3
Molecular Weight463.62 g/mol
Exact Mass463.28
IUPAC Name5-cyclopropyl-1-[3-[3-(2-propylpiperidine-1-carbonyl)cyclohexyl]phenyl]pyrazole-4-carboxylic acid
SMILESCCCC1CCCCN1C(=O)C1CCCC(c2cccc(-n3ncc(C(=O)O)c3C3CC3)c2)C1
InChIInChI=1S/C28H37N3O3/c1-2-7-23-11-3-4-15-30(23)27(32)22-10-5-8-20(16-22)21-9-6-12-24(17-21)31-26(19-13-14-19)25(18-29-31)28(33)34/h6,9,12,17-20,22-23H,2-5,7-8,10-11,13-16H2,1H3,(H,33,34)
InChIKeyBDQZIUZHYGGIBI-UHFFFAOYSA-N
XLogP5.90
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.62
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclopropyl-1-[3-[(1R)-3-(dimethylcarbamoyl)cyclohexyl]phenyl]pyrazole-4-carboxylic acid
CID 139318399
5-cyclopropyl-1-[3-[3-(2,2-dimethylpyrrolidine-1-carbonyl)cyclohexyl]phenyl]pyrazole-4-carboxylic acid
CID 126749394
5-cyclopropyl-1-[3-[2-fluoro-3-(2-propylpiperidine-1-carbonyl)phenyl]phenyl]pyrazole-4-carboxylic acid
CID 126754339
5-cyclopropyl-1-[3-[2-fluoro-3-[(2R)-2-propylpiperidine-1-carbonyl]phenyl]phenyl]pyrazole-4-carboxylic acid
CID 126754491
5-cyclohexyl-1-(3-methylphenyl)pyrazole-4-carboxylic acid
CID 82361438
1-(3-cyanophenyl)-5-cyclopropylpyrazole-4-carboxylic acid
CID 43542935
5-cyclopropyl-1-[3-[3-(oxolan-2-yl)phenyl]phenyl]pyrazole-4-carboxylic acid
CID 126754536
ethyl 5-cyclopropyl-1-[3-[(1R,3R)-3-(6,6-dimethyl-4,5-dihydrocyclopenta[d]pyrazol-1-yl)cyclohexyl]phenyl]pyrazole-4-carboxylate
CID 129024687
5-cyclopentyl-1-[3-[3-(dimethylcarbamoyl)-2-fluorophenyl]phenyl]pyrazole-4-carboxylic acid
CID 126753983
5-cyclopropyl-1-(3,4-dichlorophenyl)pyrazole-4-carboxylic acid
CID 28606372
1-[3-[3-[cyclopentylmethyl(methyl)carbamoyl]-2-fluorophenyl]phenyl]-5-cyclopropylpyrazole-4-carboxylic acid
CID 126754599
ethyl 5-cyclopropyl-1-[3-[3-[2-(ethoxymethyl)pyrrolidine-1-carbonyl]cyclohexen-1-yl]phenyl]pyrazole-4-carboxylate
CID 135341113

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-[3-[3-(2-propylpiperidine-1-carbonyl)cyclohexyl]phenyl]pyrazole-4-carboxylic acid?
The IUPAC name of 5-cyclopropyl-1-[3-[3-(2-propylpiperidine-1-carbonyl)cyclohexyl]phenyl]pyrazole-4-carboxylic acid (CID 126749382) is 5-cyclopropyl-1-[3-[3-(2-propylpiperidine-1-carbonyl)cyclohexyl]phenyl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-1-[3-[3-(2-propylpiperidine-1-carbonyl)cyclohexyl]phenyl]pyrazole-4-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-1-[3-[3-(2-propylpiperidine-1-carbonyl)cyclohexyl]phenyl]pyrazole-4-carboxylic acid is CCCC1CCCCN1C(=O)C1CCCC(c2cccc(-n3ncc(C(=O)O)c3C3CC3)c2)C1.
What is the InChIKey of 5-cyclopropyl-1-[3-[3-(2-propylpiperidine-1-carbonyl)cyclohexyl]phenyl]pyrazole-4-carboxylic acid?
The InChIKey is BDQZIUZHYGGIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3O3/c1-2-7-23-11-3-4-15-30(23)27(32)22-10-5-8-20(16-22)21-9-6-12-24(17-21)31-26(19-13-14-19)25(18-29-31)28(33)34/h6,9,12,17-20,22-23H,2-5,7-8,10-11,13-16H2,1H3,(H,33,34).
What are the key properties of 5-cyclopropyl-1-[3-[3-(2-propylpiperidine-1-carbonyl)cyclohexyl]phenyl]pyrazole-4-carboxylic acid?
5-cyclopropyl-1-[3-[3-(2-propylpiperidine-1-carbonyl)cyclohexyl]phenyl]pyrazole-4-carboxylic acid has a molecular weight of 463.62 g/mol, XLogP of 5.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-[3-[3-(2-propylpiperidine-1-carbonyl)cyclohexyl]phenyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 126749382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).