(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-piperidin-1-ylmethanone

C20H20N4O — CID 976901

IUPAC(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-piperidin-1-ylmethanone
SMILESO=C(c1cn(-c2ccccc2)nc1-c1ccncc1)N1CCCCC1
InChIInChI=1S/C20H20N4O/c25-20(23-13-5-2-6-14-23)18-15-24(17-7-3-1-4-8-17)22-19(18)16-9-11-21-12-10-16/h1,3-4,7-12,15H,2,5-6,13-14H2
InChIKeySPQZPYVZGBZZQB-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.56
Rot. Bonds3

About (1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-piperidin-1-ylmethanone

(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-piperidin-1-ylmethanone (PubChem CID 976901) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is (1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-piperidin-1-ylmethanone
PubChem CID976901
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-piperidin-1-ylmethanone
SMILESO=C(c1cn(-c2ccccc2)nc1-c1ccncc1)N1CCCCC1
InChIInChI=1S/C20H20N4O/c25-20(23-13-5-2-6-14-23)18-15-24(17-7-3-1-4-8-17)22-19(18)16-9-11-21-12-10-16/h1,3-4,7-12,15H,2,5-6,13-14H2
InChIKeySPQZPYVZGBZZQB-UHFFFAOYSA-N
XLogP3.56
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-piperidin-1-ylmethanone?
The IUPAC name of (1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-piperidin-1-ylmethanone (CID 976901) is (1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-piperidin-1-ylmethanone is O=C(c1cn(-c2ccccc2)nc1-c1ccncc1)N1CCCCC1.
What is the InChIKey of (1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-piperidin-1-ylmethanone?
The InChIKey is SPQZPYVZGBZZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c25-20(23-13-5-2-6-14-23)18-15-24(17-7-3-1-4-8-17)22-19(18)16-9-11-21-12-10-16/h1,3-4,7-12,15H,2,5-6,13-14H2.
What are the key properties of (1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-piperidin-1-ylmethanone?
(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-piperidin-1-ylmethanone has a molecular weight of 332.41 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 976901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).