4-[4-(4-chlorophenyl)-3-methoxy-1-piperidin-4-ylpyrazol-5-yl]pyridine

C20H21ClN4O — CID 10339058

IUPAC4-[4-(4-chlorophenyl)-3-methoxy-1-piperidin-4-ylpyrazol-5-yl]pyridine
SMILESCOc1nn(C2CCNCC2)c(-c2ccncc2)c1-c1ccc(Cl)cc1
InChIInChI=1S/C20H21ClN4O/c1-26-20-18(14-2-4-16(21)5-3-14)19(15-6-10-22-11-7-15)25(24-20)17-8-12-23-13-9-17/h2-7,10-11,17,23H,8-9,12-13H2,1H3
InChIKeyINYICORCAYBJSD-UHFFFAOYSA-N
MW368.87 g/mol
LogP4.20
Rot. Bonds4

About 4-[4-(4-chlorophenyl)-3-methoxy-1-piperidin-4-ylpyrazol-5-yl]pyridine

4-[4-(4-chlorophenyl)-3-methoxy-1-piperidin-4-ylpyrazol-5-yl]pyridine (PubChem CID 10339058) has the molecular formula C20H21ClN4O and a molecular weight of 368.87 g/mol. Its IUPAC name is 4-[4-(4-chlorophenyl)-3-methoxy-1-piperidin-4-ylpyrazol-5-yl]pyridine.

Molecular Properties

Compound Name4-[4-(4-chlorophenyl)-3-methoxy-1-piperidin-4-ylpyrazol-5-yl]pyridine
PubChem CID10339058
Molecular FormulaC20H21ClN4O
Molecular Weight368.87 g/mol
Exact Mass368.14
IUPAC Name4-[4-(4-chlorophenyl)-3-methoxy-1-piperidin-4-ylpyrazol-5-yl]pyridine
SMILESCOc1nn(C2CCNCC2)c(-c2ccncc2)c1-c1ccc(Cl)cc1
InChIInChI=1S/C20H21ClN4O/c1-26-20-18(14-2-4-16(21)5-3-14)19(15-6-10-22-11-7-15)25(24-20)17-8-12-23-13-9-17/h2-7,10-11,17,23H,8-9,12-13H2,1H3
InChIKeyINYICORCAYBJSD-UHFFFAOYSA-N
XLogP4.20
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-chlorophenyl)-1-piperidin-4-ylpyrazolo[4,3-c]pyridine
CID 45111427
3-(4-chlorophenyl)-2-(4-methylcyclohexyl)-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine
CID 59752520
4-[5-(4-chlorophenyl)-3-(1-methylpiperidin-4-yl)oxy-1H-pyrazol-4-yl]pyridine
CID 22037499
4-[5-(4-chlorophenyl)-1,3-dimethylpyrazol-4-yl]pyridine
CID 22037545
4-[5-(4-chlorophenyl)-3-cyclopentyloxy-1H-pyrazol-4-yl]pyridine
CID 20660576
4-[4-(4-chlorophenoxy)-5-methylpyrazol-1-yl]piperidine
CID 115055523
3-(4-chlorophenyl)-1-cyclohexyl-5,6,7,8-tetrahydro-4H-pyrazolo[4,5-d]azepine
CID 59752530
4-[5-[(1R)-1-(4-chloro-2-fluorophenyl)ethoxy]pyrazol-1-yl]piperidine
CID 164914588
1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-4-cyclopropylpiperazine
CID 22037242
3-(4-chlorophenyl)-1-[1-(isocyanomethyl)piperidin-4-yl]pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-piperidin-4-ylpyrazolo[4,3-c]pyridine
CID 160895564
4-(3-methoxy-1-piperidin-4-ylazetidin-2-yl)pyridine
CID 156610743
1-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]piperazine
CID 22037680

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenyl)-3-methoxy-1-piperidin-4-ylpyrazol-5-yl]pyridine?
The IUPAC name of 4-[4-(4-chlorophenyl)-3-methoxy-1-piperidin-4-ylpyrazol-5-yl]pyridine (CID 10339058) is 4-[4-(4-chlorophenyl)-3-methoxy-1-piperidin-4-ylpyrazol-5-yl]pyridine.
What is the SMILES notation for 4-[4-(4-chlorophenyl)-3-methoxy-1-piperidin-4-ylpyrazol-5-yl]pyridine?
The canonical SMILES for 4-[4-(4-chlorophenyl)-3-methoxy-1-piperidin-4-ylpyrazol-5-yl]pyridine is COc1nn(C2CCNCC2)c(-c2ccncc2)c1-c1ccc(Cl)cc1.
What is the InChIKey of 4-[4-(4-chlorophenyl)-3-methoxy-1-piperidin-4-ylpyrazol-5-yl]pyridine?
The InChIKey is INYICORCAYBJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O/c1-26-20-18(14-2-4-16(21)5-3-14)19(15-6-10-22-11-7-15)25(24-20)17-8-12-23-13-9-17/h2-7,10-11,17,23H,8-9,12-13H2,1H3.
What are the key properties of 4-[4-(4-chlorophenyl)-3-methoxy-1-piperidin-4-ylpyrazol-5-yl]pyridine?
4-[4-(4-chlorophenyl)-3-methoxy-1-piperidin-4-ylpyrazol-5-yl]pyridine has a molecular weight of 368.87 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenyl)-3-methoxy-1-piperidin-4-ylpyrazol-5-yl]pyridine is sourced from PubChem (CID 10339058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).