N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-1-pyridin-2-ylpyrazole-4-carboxamide

C24H23ClN4O3 — CID 162299186

IUPACN-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCc1cc(OCC(=O)CC23CC(NC(=O)c4cnn(-c5ccccn5)c4)(C2)C3)ccc1Cl
InChIInChI=1S/C24H23ClN4O3/c1-16-8-19(5-6-20(16)25)32-12-18(30)9-23-13-24(14-23,15-23)28-22(31)17-10-27-29(11-17)21-4-2-3-7-26-21/h2-8,10-11H,9,12-15H2,1H3,(H,28,31)
InChIKeyYKTWEVZLQCGLAS-UHFFFAOYSA-N
MW450.93 g/mol
LogP3.92
Rot. Bonds8

About N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-1-pyridin-2-ylpyrazole-4-carboxamide

N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-1-pyridin-2-ylpyrazole-4-carboxamide (PubChem CID 162299186) has the molecular formula C24H23ClN4O3 and a molecular weight of 450.93 g/mol. Its IUPAC name is N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-1-pyridin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-1-pyridin-2-ylpyrazole-4-carboxamide
PubChem CID162299186
Molecular FormulaC24H23ClN4O3
Molecular Weight450.93 g/mol
Exact Mass450.15
IUPAC NameN-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCc1cc(OCC(=O)CC23CC(NC(=O)c4cnn(-c5ccccn5)c4)(C2)C3)ccc1Cl
InChIInChI=1S/C24H23ClN4O3/c1-16-8-19(5-6-20(16)25)32-12-18(30)9-23-13-24(14-23,15-23)28-22(31)17-10-27-29(11-17)21-4-2-3-7-26-21/h2-8,10-11H,9,12-15H2,1H3,(H,28,31)
InChIKeyYKTWEVZLQCGLAS-UHFFFAOYSA-N
XLogP3.92
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.93
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-5-(2-cyanoethyl)pyridine-2-carboxamide
CID 159961387
N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]pyridine-2-carboxamide
CID 158400664
N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-phenylpyridine-2-carboxamide
CID 157221769
N-[3-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 158708318
N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyrido[2,3-b]pyrazine-2-carboxamide
CID 160801845
N-[3-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-5-(furan-2-yl)pyridine-2-carboxamide
CID 160858978
2-(4-chloro-3-methylphenoxy)-N-pyridin-2-ylacetamide
CID 883765
1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-(1,2-oxazol-3-yl)propan-1-one
CID 157217072
1-(4-chlorophenyl)-N-[4-[3-(3,4-dichlorophenoxy)-2-oxopropyl]-1-bicyclo[2.1.1]hexanyl]-5-methylpyrazole-3-carboxamide
CID 158851013
N-[3-[3-[(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)oxy]-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]pyridine-3-carboxamide
CID 160761354
5-(2-cyclopropylethyl)-N-[3-[3-(4-fluoro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]pyridine-2-carboxamide
CID 162017742
2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(4-ethylphenyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[3-(1-fluoroethoxy)phenyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-methoxy-4-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]pyridazine-4-carboxamide
CID 161408300

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-1-pyridin-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-1-pyridin-2-ylpyrazole-4-carboxamide (CID 162299186) is N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-1-pyridin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-1-pyridin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-1-pyridin-2-ylpyrazole-4-carboxamide is Cc1cc(OCC(=O)CC23CC(NC(=O)c4cnn(-c5ccccn5)c4)(C2)C3)ccc1Cl.
What is the InChIKey of N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-1-pyridin-2-ylpyrazole-4-carboxamide?
The InChIKey is YKTWEVZLQCGLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O3/c1-16-8-19(5-6-20(16)25)32-12-18(30)9-23-13-24(14-23,15-23)28-22(31)17-10-27-29(11-17)21-4-2-3-7-26-21/h2-8,10-11H,9,12-15H2,1H3,(H,28,31).
What are the key properties of N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-1-pyridin-2-ylpyrazole-4-carboxamide?
N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-1-pyridin-2-ylpyrazole-4-carboxamide has a molecular weight of 450.93 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-1-pyridin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 162299186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).