(3R)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-[(3,4-dimethoxyphenyl)methyl]piperidine

C23H26ClN3O2 — CID 26350738

IUPAC(3R)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-[(3,4-dimethoxyphenyl)methyl]piperidine
SMILESCOc1ccc(CN2CCC[C@@H](c3[nH]ncc3-c3ccc(Cl)cc3)C2)cc1OC
InChIInChI=1S/C23H26ClN3O2/c1-28-21-10-5-16(12-22(21)29-2)14-27-11-3-4-18(15-27)23-20(13-25-26-23)17-6-8-19(24)9-7-17/h5-10,12-13,18H,3-4,11,14-15H2,1-2H3,(H,25,26)/t18-/m1/s1
InChIKeyLYNDZWSFSIWDML-GOSISDBHSA-N
MW411.93 g/mol
LogP5.13
Rot. Bonds6

About (3R)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-[(3,4-dimethoxyphenyl)methyl]piperidine

(3R)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-[(3,4-dimethoxyphenyl)methyl]piperidine (PubChem CID 26350738) has the molecular formula C23H26ClN3O2 and a molecular weight of 411.93 g/mol. Its IUPAC name is (3R)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-[(3,4-dimethoxyphenyl)methyl]piperidine.

Molecular Properties

Compound Name(3R)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-[(3,4-dimethoxyphenyl)methyl]piperidine
PubChem CID26350738
Molecular FormulaC23H26ClN3O2
Molecular Weight411.93 g/mol
Exact Mass411.17
IUPAC Name(3R)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-[(3,4-dimethoxyphenyl)methyl]piperidine
SMILESCOc1ccc(CN2CCC[C@@H](c3[nH]ncc3-c3ccc(Cl)cc3)C2)cc1OC
InChIInChI=1S/C23H26ClN3O2/c1-28-21-10-5-16(12-22(21)29-2)14-27-11-3-4-18(15-27)23-20(13-25-26-23)17-6-8-19(24)9-7-17/h5-10,12-13,18H,3-4,11,14-15H2,1-2H3,(H,25,26)/t18-/m1/s1
InChIKeyLYNDZWSFSIWDML-GOSISDBHSA-N
XLogP5.13
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.93
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-[(3,4-dimethoxyphenyl)methyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[(3R)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-2-methoxyphenol
CID 42276354
3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-[(2,4,5-trimethoxyphenyl)methyl]piperidine
CID 45238720
2-[[3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-3-methoxyphenol
CID 45232844
(3S)-3-[4-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-1-[(4-methylphenyl)methyl]piperidine
CID 42479334
(3S)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidine
CID 31125403
(3R)-3-[4-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-1-[(3-methoxyphenyl)methyl]piperidine
CID 42479446
(3S)-1-[(2,6-dimethoxyphenyl)methyl]-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine
CID 29087992
(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 26401758
(3S)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 42479392
(3R)-3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]-1-[(4-methoxyphenyl)methyl]piperidine
CID 42210375
3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-(2-phenylmethoxyethyl)piperidine
CID 110089792
tert-butyl (3R)-3-[4-[4-(piperidin-1-ylmethyl)phenyl]-1H-pyrazol-5-yl]piperidine-1-carboxylate
CID 125002381

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-[(3,4-dimethoxyphenyl)methyl]piperidine?
The IUPAC name of (3R)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-[(3,4-dimethoxyphenyl)methyl]piperidine (CID 26350738) is (3R)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-[(3,4-dimethoxyphenyl)methyl]piperidine.
What is the SMILES notation for (3R)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-[(3,4-dimethoxyphenyl)methyl]piperidine?
The canonical SMILES for (3R)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-[(3,4-dimethoxyphenyl)methyl]piperidine is COc1ccc(CN2CCC[C@@H](c3[nH]ncc3-c3ccc(Cl)cc3)C2)cc1OC.
What is the InChIKey of (3R)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-[(3,4-dimethoxyphenyl)methyl]piperidine?
The InChIKey is LYNDZWSFSIWDML-GOSISDBHSA-N. The full InChI is InChI=1S/C23H26ClN3O2/c1-28-21-10-5-16(12-22(21)29-2)14-27-11-3-4-18(15-27)23-20(13-25-26-23)17-6-8-19(24)9-7-17/h5-10,12-13,18H,3-4,11,14-15H2,1-2H3,(H,25,26)/t18-/m1/s1.
What are the key properties of (3R)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-[(3,4-dimethoxyphenyl)methyl]piperidine?
(3R)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-[(3,4-dimethoxyphenyl)methyl]piperidine has a molecular weight of 411.93 g/mol, XLogP of 5.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-[(3,4-dimethoxyphenyl)methyl]piperidine is sourced from PubChem (CID 26350738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).