(1,3-dimethyl-5-phenoxypyrazol-4-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone

C22H24N4O2 — CID 71561502

IUPAC(1,3-dimethyl-5-phenoxypyrazol-4-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone
SMILESCc1nn(C)c(Oc2ccccc2)c1C(=O)N1CCCCC1c1cccnc1
InChIInChI=1S/C22H24N4O2/c1-16-20(22(25(2)24-16)28-18-10-4-3-5-11-18)21(27)26-14-7-6-12-19(26)17-9-8-13-23-15-17/h3-5,8-11,13,15,19H,6-7,12,14H2,1-2H3
InChIKeyJPMIRJARZDDPJF-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.28
Rot. Bonds4

About (1,3-dimethyl-5-phenoxypyrazol-4-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone

(1,3-dimethyl-5-phenoxypyrazol-4-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone (PubChem CID 71561502) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is (1,3-dimethyl-5-phenoxypyrazol-4-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(1,3-dimethyl-5-phenoxypyrazol-4-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone
PubChem CID71561502
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name(1,3-dimethyl-5-phenoxypyrazol-4-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone
SMILESCc1nn(C)c(Oc2ccccc2)c1C(=O)N1CCCCC1c1cccnc1
InChIInChI=1S/C22H24N4O2/c1-16-20(22(25(2)24-16)28-18-10-4-3-5-11-18)21(27)26-14-7-6-12-19(26)17-9-8-13-23-15-17/h3-5,8-11,13,15,19H,6-7,12,14H2,1-2H3
InChIKeyJPMIRJARZDDPJF-UHFFFAOYSA-N
XLogP4.28
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,3-dichlorophenoxy)-1,3-dimethyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 71561754
5-(2,3-dichlorophenoxy)-N-ethyl-1,3-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 71561753
US11180484, Example 22
CID 139301877
[4-(2-Methoxyphenyl)-1-piperidinyl]-(5-methyl-1-phenyl-4-pyrazolyl)methanone
CID 2810968
[(2R,5R)-2-methyl-5-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 25127820
(1-Benzyl-3-pyridin-3-ylpyrazol-4-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 16323816
N-[(1-methylpyrazol-4-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
CID 24790505
N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-4-{[1-(2-pyridinylmethyl)-4-piperidinyl]oxy}benzamide
CID 24791409
N-ethyl-N-(6-methoxy-3-pyridinyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 46883830
N-ethyl-1-(4-methoxyphenyl)-N-(6-methoxy-3-pyridinyl)-5-methylpyrazole-4-carboxamide
CID 46883832
[5-(2-Fluorophenoxy)-1,3-dimethylpyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 71559936
[5-(3-Chlorophenoxy)-1,3-dimethylpyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 71559937

Frequently Asked Questions

What is the IUPAC name of (1,3-dimethyl-5-phenoxypyrazol-4-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone?
The IUPAC name of (1,3-dimethyl-5-phenoxypyrazol-4-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone (CID 71561502) is (1,3-dimethyl-5-phenoxypyrazol-4-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (1,3-dimethyl-5-phenoxypyrazol-4-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone?
The canonical SMILES for (1,3-dimethyl-5-phenoxypyrazol-4-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone is Cc1nn(C)c(Oc2ccccc2)c1C(=O)N1CCCCC1c1cccnc1.
What is the InChIKey of (1,3-dimethyl-5-phenoxypyrazol-4-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone?
The InChIKey is JPMIRJARZDDPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-16-20(22(25(2)24-16)28-18-10-4-3-5-11-18)21(27)26-14-7-6-12-19(26)17-9-8-13-23-15-17/h3-5,8-11,13,15,19H,6-7,12,14H2,1-2H3.
What are the key properties of (1,3-dimethyl-5-phenoxypyrazol-4-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone?
(1,3-dimethyl-5-phenoxypyrazol-4-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone has a molecular weight of 376.46 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethyl-5-phenoxypyrazol-4-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 71561502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).