4-[1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]pyridine

C20H22N4 — CID 56913035

IUPAC4-[1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]pyridine
SMILESc1cc(CN2CCC(c3ccncc3)CC2)cc(-n2cccn2)c1
InChIInChI=1S/C20H22N4/c1-3-17(15-20(4-1)24-12-2-9-22-24)16-23-13-7-19(8-14-23)18-5-10-21-11-6-18/h1-6,9-12,15,19H,7-8,13-14,16H2
InChIKeyMRIFSZCZTIOIPN-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.65
Rot. Bonds4

About 4-[1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]pyridine

4-[1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]pyridine (PubChem CID 56913035) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-[1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]pyridine.

Molecular Properties

Compound Name4-[1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]pyridine
PubChem CID56913035
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC Name4-[1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]pyridine
SMILESc1cc(CN2CCC(c3ccncc3)CC2)cc(-n2cccn2)c1
InChIInChI=1S/C20H22N4/c1-3-17(15-20(4-1)24-12-2-9-22-24)16-23-13-7-19(8-14-23)18-5-10-21-11-6-18/h1-6,9-12,15,19H,7-8,13-14,16H2
InChIKeyMRIFSZCZTIOIPN-UHFFFAOYSA-N
XLogP3.65
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-[(3-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-yl]benzoic acid
CID 56888182
1-[(3-fluorophenyl)methyl]-4-[(3-pyrazol-1-ylphenyl)methyl]piperazine
CID 56897722
1-cyclopentyl-4-[(3-pyrazol-1-ylphenyl)methyl]-1,4-diazepane
CID 70735219
(3-pyrazol-1-ylphenyl)-(4-pyridin-4-ylpiperidin-1-yl)methanone
CID 70745005
methyl (2S)-2-hydroxy-2-[1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]acetate
CID 97151791
4-(1-benzylpyrrolidin-3-yl)pyridine
CID 11085844
3-[1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 75514760
1-[(3-pyrazol-1-ylphenyl)methyl]-4-(1H-1,2,4-triazol-5-yl)piperazine
CID 118765657
1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-[(3-pyrazol-1-ylphenyl)methyl]urea
CID 86966924
2-[(3-pyrazol-1-ylphenyl)methyl]-9-oxa-2-azaspiro[5.5]undecane
CID 74242185
4-[1-[(4-pyridin-4-ylpiperidin-1-yl)methyl]piperidin-4-yl]pyridine
CID 59705532
(3R)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-ol
CID 63365329

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]pyridine?
The IUPAC name of 4-[1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]pyridine (CID 56913035) is 4-[1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]pyridine.
What is the SMILES notation for 4-[1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]pyridine?
The canonical SMILES for 4-[1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]pyridine is c1cc(CN2CCC(c3ccncc3)CC2)cc(-n2cccn2)c1.
What is the InChIKey of 4-[1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]pyridine?
The InChIKey is MRIFSZCZTIOIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4/c1-3-17(15-20(4-1)24-12-2-9-22-24)16-23-13-7-19(8-14-23)18-5-10-21-11-6-18/h1-6,9-12,15,19H,7-8,13-14,16H2.
What are the key properties of 4-[1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]pyridine?
4-[1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]pyridine has a molecular weight of 318.42 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]pyridine is sourced from PubChem (CID 56913035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).