(3S)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidine

C21H24ClN3O2 — CID 31125403

IUPAC(3S)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidine
SMILESCOCc1ccc(CN2CCC[C@H](c3[nH]ncc3-c3ccc(Cl)cc3)C2)o1
InChIInChI=1S/C21H24ClN3O2/c1-26-14-19-9-8-18(27-19)13-25-10-2-3-16(12-25)21-20(11-23-24-21)15-4-6-17(22)7-5-15/h4-9,11,16H,2-3,10,12-14H2,1H3,(H,23,24)/t16-/m0/s1
InChIKeyGKBAYGQZTRAWTQ-INIZCTEOSA-N
MW385.90 g/mol
LogP4.85
Rot. Bonds6

About (3S)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidine

(3S)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidine (PubChem CID 31125403) has the molecular formula C21H24ClN3O2 and a molecular weight of 385.90 g/mol. Its IUPAC name is (3S)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidine.

Molecular Properties

Compound Name(3S)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidine
PubChem CID31125403
Molecular FormulaC21H24ClN3O2
Molecular Weight385.90 g/mol
Exact Mass385.16
IUPAC Name(3S)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidine
SMILESCOCc1ccc(CN2CCC[C@H](c3[nH]ncc3-c3ccc(Cl)cc3)C2)o1
InChIInChI=1S/C21H24ClN3O2/c1-26-14-19-9-8-18(27-19)13-25-10-2-3-16(12-25)21-20(11-23-24-21)15-4-6-17(22)7-5-15/h4-9,11,16H,2-3,10,12-14H2,1H3,(H,23,24)/t16-/m0/s1
InChIKeyGKBAYGQZTRAWTQ-INIZCTEOSA-N
XLogP4.85
TPSA54.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[[5-(methoxymethyl)furan-2-yl]methyl]-3-[4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidine
CID 42482466
3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-[(2,4,5-trimethoxyphenyl)methyl]piperidine
CID 45238720
(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
5-[[(3R)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-2-methoxyphenol
CID 42276354
3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]-1-[(5-ethylfuran-2-yl)methyl]piperidine
CID 45211230
3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-(2-phenylmethoxyethyl)piperidine
CID 110089792
(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 26401758
(3S)-1-[(2,6-dimethoxyphenyl)methyl]-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine
CID 29087992
(3S)-3-[4-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-1-[(4-methylphenyl)methyl]piperidine
CID 42479334
(3S)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 42479392
(3S)-1-[(2,6-difluorophenyl)methyl]-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 26401706

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidine?
The IUPAC name of (3S)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidine (CID 31125403) is (3S)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidine.
What is the SMILES notation for (3S)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidine?
The canonical SMILES for (3S)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidine is COCc1ccc(CN2CCC[C@H](c3[nH]ncc3-c3ccc(Cl)cc3)C2)o1.
What is the InChIKey of (3S)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidine?
The InChIKey is GKBAYGQZTRAWTQ-INIZCTEOSA-N. The full InChI is InChI=1S/C21H24ClN3O2/c1-26-14-19-9-8-18(27-19)13-25-10-2-3-16(12-25)21-20(11-23-24-21)15-4-6-17(22)7-5-15/h4-9,11,16H,2-3,10,12-14H2,1H3,(H,23,24)/t16-/m0/s1.
What are the key properties of (3S)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidine?
(3S)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidine has a molecular weight of 385.90 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidine is sourced from PubChem (CID 31125403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).