5-cyclopropyl-1-[3-[(1R,3S)-3-(piperidine-1-carbonyl)cyclohexyl]phenyl]pyrazole-4-carboxylic acid

C25H31N3O3 — CID 129024624

IUPAC5-cyclopropyl-1-[3-[(1R,3S)-3-(piperidine-1-carbonyl)cyclohexyl]phenyl]pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2cccc([C@@H]3CCC[C@H](C(=O)N4CCCCC4)C3)c2)c1C1CC1
InChIInChI=1S/C25H31N3O3/c29-24(27-12-2-1-3-13-27)20-8-4-6-18(14-20)19-7-5-9-21(15-19)28-23(17-10-11-17)22(16-26-28)25(30)31/h5,7,9,15-18,20H,1-4,6,8,10-14H2,(H,30,31)/t18-,20+/m1/s1
InChIKeyKFMAODZLDUERIC-QUCCMNQESA-N
MW421.54 g/mol
LogP4.73
Rot. Bonds5

About 5-cyclopropyl-1-[3-[(1R,3S)-3-(piperidine-1-carbonyl)cyclohexyl]phenyl]pyrazole-4-carboxylic acid

5-cyclopropyl-1-[3-[(1R,3S)-3-(piperidine-1-carbonyl)cyclohexyl]phenyl]pyrazole-4-carboxylic acid (PubChem CID 129024624) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is 5-cyclopropyl-1-[3-[(1R,3S)-3-(piperidine-1-carbonyl)cyclohexyl]phenyl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-1-[3-[(1R,3S)-3-(piperidine-1-carbonyl)cyclohexyl]phenyl]pyrazole-4-carboxylic acid
PubChem CID129024624
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC Name5-cyclopropyl-1-[3-[(1R,3S)-3-(piperidine-1-carbonyl)cyclohexyl]phenyl]pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2cccc([C@@H]3CCC[C@H](C(=O)N4CCCCC4)C3)c2)c1C1CC1
InChIInChI=1S/C25H31N3O3/c29-24(27-12-2-1-3-13-27)20-8-4-6-18(14-20)19-7-5-9-21(15-19)28-23(17-10-11-17)22(16-26-28)25(30)31/h5,7,9,15-18,20H,1-4,6,8,10-14H2,(H,30,31)/t18-,20+/m1/s1
InChIKeyKFMAODZLDUERIC-QUCCMNQESA-N
XLogP4.73
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-cyclopropyl-1-[3-[(1R,3S)-3-(piperidine-1-carbonyl)cyclohexyl]phenyl]pyrazole-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

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-[3-[(1R,3S)-3-(piperidine-1-carbonyl)cyclohexyl]phenyl]pyrazole-4-carboxylic acid?
The IUPAC name of 5-cyclopropyl-1-[3-[(1R,3S)-3-(piperidine-1-carbonyl)cyclohexyl]phenyl]pyrazole-4-carboxylic acid (CID 129024624) is 5-cyclopropyl-1-[3-[(1R,3S)-3-(piperidine-1-carbonyl)cyclohexyl]phenyl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-1-[3-[(1R,3S)-3-(piperidine-1-carbonyl)cyclohexyl]phenyl]pyrazole-4-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-1-[3-[(1R,3S)-3-(piperidine-1-carbonyl)cyclohexyl]phenyl]pyrazole-4-carboxylic acid is O=C(O)c1cnn(-c2cccc([C@@H]3CCC[C@H](C(=O)N4CCCCC4)C3)c2)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-1-[3-[(1R,3S)-3-(piperidine-1-carbonyl)cyclohexyl]phenyl]pyrazole-4-carboxylic acid?
The InChIKey is KFMAODZLDUERIC-QUCCMNQESA-N. The full InChI is InChI=1S/C25H31N3O3/c29-24(27-12-2-1-3-13-27)20-8-4-6-18(14-20)19-7-5-9-21(15-19)28-23(17-10-11-17)22(16-26-28)25(30)31/h5,7,9,15-18,20H,1-4,6,8,10-14H2,(H,30,31)/t18-,20+/m1/s1.
What are the key properties of 5-cyclopropyl-1-[3-[(1R,3S)-3-(piperidine-1-carbonyl)cyclohexyl]phenyl]pyrazole-4-carboxylic acid?
5-cyclopropyl-1-[3-[(1R,3S)-3-(piperidine-1-carbonyl)cyclohexyl]phenyl]pyrazole-4-carboxylic acid has a molecular weight of 421.54 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-[3-[(1R,3S)-3-(piperidine-1-carbonyl)cyclohexyl]phenyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 129024624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).