(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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).