(3-phenyl-3,4-dihydropyrazol-2-yl)-[1-(pyridine-2-carbonyl)piperidin-4-yl]methanone

C21H22N4O2 — CID 122703666

IUPAC(3-phenyl-3,4-dihydropyrazol-2-yl)-[1-(pyridine-2-carbonyl)piperidin-4-yl]methanone
SMILESO=C(c1ccccn1)N1CCC(C(=O)N2N=CCC2c2ccccc2)CC1
InChIInChI=1S/C21H22N4O2/c26-20(25-19(9-13-23-25)16-6-2-1-3-7-16)17-10-14-24(15-11-17)21(27)18-8-4-5-12-22-18/h1-8,12-13,17,19H,9-11,14-15H2
InChIKeyCWBLKBNCFMSXMO-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.89
Rot. Bonds3

About (3-phenyl-3,4-dihydropyrazol-2-yl)-[1-(pyridine-2-carbonyl)piperidin-4-yl]methanone

(3-phenyl-3,4-dihydropyrazol-2-yl)-[1-(pyridine-2-carbonyl)piperidin-4-yl]methanone (PubChem CID 122703666) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is (3-phenyl-3,4-dihydropyrazol-2-yl)-[1-(pyridine-2-carbonyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(3-phenyl-3,4-dihydropyrazol-2-yl)-[1-(pyridine-2-carbonyl)piperidin-4-yl]methanone
PubChem CID122703666
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name(3-phenyl-3,4-dihydropyrazol-2-yl)-[1-(pyridine-2-carbonyl)piperidin-4-yl]methanone
SMILESO=C(c1ccccn1)N1CCC(C(=O)N2N=CCC2c2ccccc2)CC1
InChIInChI=1S/C21H22N4O2/c26-20(25-19(9-13-23-25)16-6-2-1-3-7-16)17-10-14-24(15-11-17)21(27)18-8-4-5-12-22-18/h1-8,12-13,17,19H,9-11,14-15H2
InChIKeyCWBLKBNCFMSXMO-UHFFFAOYSA-N
XLogP2.89
TPSA65.87 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-phenyl-3,4-dihydropyrazol-2-yl)-[1-(pyridine-2-carbonyl)piperidin-4-yl]methanone?
The IUPAC name of (3-phenyl-3,4-dihydropyrazol-2-yl)-[1-(pyridine-2-carbonyl)piperidin-4-yl]methanone (CID 122703666) is (3-phenyl-3,4-dihydropyrazol-2-yl)-[1-(pyridine-2-carbonyl)piperidin-4-yl]methanone.
What is the SMILES notation for (3-phenyl-3,4-dihydropyrazol-2-yl)-[1-(pyridine-2-carbonyl)piperidin-4-yl]methanone?
The canonical SMILES for (3-phenyl-3,4-dihydropyrazol-2-yl)-[1-(pyridine-2-carbonyl)piperidin-4-yl]methanone is O=C(c1ccccn1)N1CCC(C(=O)N2N=CCC2c2ccccc2)CC1.
What is the InChIKey of (3-phenyl-3,4-dihydropyrazol-2-yl)-[1-(pyridine-2-carbonyl)piperidin-4-yl]methanone?
The InChIKey is CWBLKBNCFMSXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c26-20(25-19(9-13-23-25)16-6-2-1-3-7-16)17-10-14-24(15-11-17)21(27)18-8-4-5-12-22-18/h1-8,12-13,17,19H,9-11,14-15H2.
What are the key properties of (3-phenyl-3,4-dihydropyrazol-2-yl)-[1-(pyridine-2-carbonyl)piperidin-4-yl]methanone?
(3-phenyl-3,4-dihydropyrazol-2-yl)-[1-(pyridine-2-carbonyl)piperidin-4-yl]methanone has a molecular weight of 362.43 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenyl-3,4-dihydropyrazol-2-yl)-[1-(pyridine-2-carbonyl)piperidin-4-yl]methanone is sourced from PubChem (CID 122703666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).