1-[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-(dimethylamino)ethanone

C23H26ClN5O — CID 22953580

IUPAC1-[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-(dimethylamino)ethanone
SMILESCN(C)CC(=O)N1CCC(c2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncc2)CC1
InChIInChI=1S/C23H26ClN5O/c1-28(2)15-20(30)29-13-9-18(10-14-29)23-21(16-7-11-25-12-8-16)22(26-27-23)17-3-5-19(24)6-4-17/h3-8,11-12,18H,9-10,13-15H2,1-2H3,(H,26,27)
InChIKeyAJSYPQYHRHMICL-UHFFFAOYSA-N
MW423.95 g/mol
LogP4.06
Rot. Bonds5

About 1-[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-(dimethylamino)ethanone

1-[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-(dimethylamino)ethanone (PubChem CID 22953580) has the molecular formula C23H26ClN5O and a molecular weight of 423.95 g/mol. Its IUPAC name is 1-[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-(dimethylamino)ethanone.

Molecular Properties

Compound Name1-[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-(dimethylamino)ethanone
PubChem CID22953580
Molecular FormulaC23H26ClN5O
Molecular Weight423.95 g/mol
Exact Mass423.18
IUPAC Name1-[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-(dimethylamino)ethanone
SMILESCN(C)CC(=O)N1CCC(c2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncc2)CC1
InChIInChI=1S/C23H26ClN5O/c1-28(2)15-20(30)29-13-9-18(10-14-29)23-21(16-7-11-25-12-8-16)22(26-27-23)17-3-5-19(24)6-4-17/h3-8,11-12,18H,9-10,13-15H2,1-2H3,(H,26,27)
InChIKeyAJSYPQYHRHMICL-UHFFFAOYSA-N
XLogP4.06
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.95
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-(dimethylamino)ethanone?
The IUPAC name of 1-[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-(dimethylamino)ethanone (CID 22953580) is 1-[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-(dimethylamino)ethanone.
What is the SMILES notation for 1-[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-(dimethylamino)ethanone?
The canonical SMILES for 1-[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-(dimethylamino)ethanone is CN(C)CC(=O)N1CCC(c2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncc2)CC1.
What is the InChIKey of 1-[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-(dimethylamino)ethanone?
The InChIKey is AJSYPQYHRHMICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN5O/c1-28(2)15-20(30)29-13-9-18(10-14-29)23-21(16-7-11-25-12-8-16)22(26-27-23)17-3-5-19(24)6-4-17/h3-8,11-12,18H,9-10,13-15H2,1-2H3,(H,26,27).
What are the key properties of 1-[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-(dimethylamino)ethanone?
1-[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-(dimethylamino)ethanone has a molecular weight of 423.95 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-(dimethylamino)ethanone is sourced from PubChem (CID 22953580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).