5-[[(3R)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-2-methoxyphenol

C22H24ClN3O2 — CID 42276354

IUPAC5-[[(3R)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-2-methoxyphenol
SMILESCOc1ccc(CN2CCC[C@@H](c3[nH]ncc3-c3ccc(Cl)cc3)C2)cc1O
InChIInChI=1S/C22H24ClN3O2/c1-28-21-9-4-15(11-20(21)27)13-26-10-2-3-17(14-26)22-19(12-24-25-22)16-5-7-18(23)8-6-16/h4-9,11-12,17,27H,2-3,10,13-14H2,1H3,(H,24,25)/t17-/m1/s1
InChIKeyJAXFDTUPZMGGSH-QGZVFWFLSA-N
MW397.91 g/mol
LogP4.82
Rot. Bonds5

About 5-[[(3R)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-2-methoxyphenol

5-[[(3R)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-2-methoxyphenol (PubChem CID 42276354) has the molecular formula C22H24ClN3O2 and a molecular weight of 397.91 g/mol. Its IUPAC name is 5-[[(3R)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[[(3R)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-2-methoxyphenol
PubChem CID42276354
Molecular FormulaC22H24ClN3O2
Molecular Weight397.91 g/mol
Exact Mass397.16
IUPAC Name5-[[(3R)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-2-methoxyphenol
SMILESCOc1ccc(CN2CCC[C@@H](c3[nH]ncc3-c3ccc(Cl)cc3)C2)cc1O
InChIInChI=1S/C22H24ClN3O2/c1-28-21-9-4-15(11-20(21)27)13-26-10-2-3-17(14-26)22-19(12-24-25-22)16-5-7-18(23)8-6-16/h4-9,11-12,17,27H,2-3,10,13-14H2,1H3,(H,24,25)/t17-/m1/s1
InChIKeyJAXFDTUPZMGGSH-QGZVFWFLSA-N
XLogP4.82
TPSA61.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-[(3,4-dimethoxyphenyl)methyl]piperidine
CID 26350738
2-[[3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-3-methoxyphenol
CID 45232844
3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-[(2,4,5-trimethoxyphenyl)methyl]piperidine
CID 45238720
(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
tert-butyl (3R)-3-[4-[4-(piperidin-1-ylmethyl)phenyl]-1H-pyrazol-5-yl]piperidine-1-carboxylate
CID 125002381
(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

Frequently Asked Questions

What is the IUPAC name of 5-[[(3R)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-2-methoxyphenol?
The IUPAC name of 5-[[(3R)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-2-methoxyphenol (CID 42276354) is 5-[[(3R)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-2-methoxyphenol.
What is the SMILES notation for 5-[[(3R)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-2-methoxyphenol?
The canonical SMILES for 5-[[(3R)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-2-methoxyphenol is COc1ccc(CN2CCC[C@@H](c3[nH]ncc3-c3ccc(Cl)cc3)C2)cc1O.
What is the InChIKey of 5-[[(3R)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-2-methoxyphenol?
The InChIKey is JAXFDTUPZMGGSH-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H24ClN3O2/c1-28-21-9-4-15(11-20(21)27)13-26-10-2-3-17(14-26)22-19(12-24-25-22)16-5-7-18(23)8-6-16/h4-9,11-12,17,27H,2-3,10,13-14H2,1H3,(H,24,25)/t17-/m1/s1.
What are the key properties of 5-[[(3R)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-2-methoxyphenol?
5-[[(3R)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-2-methoxyphenol has a molecular weight of 397.91 g/mol, XLogP of 4.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3R)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-2-methoxyphenol is sourced from PubChem (CID 42276354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).