N-(2-chlorophenyl)-2-[1-[3-[2-(2-methyl-4-pyridinyl)acetyl]phenyl]pyrazol-4-yl]acetamide

C25H21ClN4O2 — CID 159311926

IUPACN-(2-chlorophenyl)-2-[1-[3-[2-(2-methyl-4-pyridinyl)acetyl]phenyl]pyrazol-4-yl]acetamide
SMILESCc1cc(CC(=O)c2cccc(-n3cc(CC(=O)Nc4ccccc4Cl)cn3)c2)ccn1
InChIInChI=1S/C25H21ClN4O2/c1-17-11-18(9-10-27-17)12-24(31)20-5-4-6-21(14-20)30-16-19(15-28-30)13-25(32)29-23-8-3-2-7-22(23)26/h2-11,14-16H,12-13H2,1H3,(H,29,32)
InChIKeyPEUIDJAMPYWEDQ-UHFFFAOYSA-N
MW444.92 g/mol
LogP4.84
Rot. Bonds7

About N-(2-chlorophenyl)-2-[1-[3-[2-(2-methyl-4-pyridinyl)acetyl]phenyl]pyrazol-4-yl]acetamide

N-(2-chlorophenyl)-2-[1-[3-[2-(2-methyl-4-pyridinyl)acetyl]phenyl]pyrazol-4-yl]acetamide (PubChem CID 159311926) has the molecular formula C25H21ClN4O2 and a molecular weight of 444.92 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[1-[3-[2-(2-methyl-4-pyridinyl)acetyl]phenyl]pyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[1-[3-[2-(2-methyl-4-pyridinyl)acetyl]phenyl]pyrazol-4-yl]acetamide
PubChem CID159311926
Molecular FormulaC25H21ClN4O2
Molecular Weight444.92 g/mol
Exact Mass444.14
IUPAC NameN-(2-chlorophenyl)-2-[1-[3-[2-(2-methyl-4-pyridinyl)acetyl]phenyl]pyrazol-4-yl]acetamide
SMILESCc1cc(CC(=O)c2cccc(-n3cc(CC(=O)Nc4ccccc4Cl)cn3)c2)ccn1
InChIInChI=1S/C25H21ClN4O2/c1-17-11-18(9-10-27-17)12-24(31)20-5-4-6-21(14-20)30-16-19(15-28-30)13-25(32)29-23-8-3-2-7-22(23)26/h2-11,14-16H,12-13H2,1H3,(H,29,32)
InChIKeyPEUIDJAMPYWEDQ-UHFFFAOYSA-N
XLogP4.84
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.92
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-[2-(azepan-1-yl)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide
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3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-[1-[2-(dimethylamino)ethyl]-3-methylpyrazol-4-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[1-[3-[2-(2-methyl-4-pyridinyl)acetyl]phenyl]pyrazol-4-yl]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[1-[3-[2-(2-methyl-4-pyridinyl)acetyl]phenyl]pyrazol-4-yl]acetamide (CID 159311926) is N-(2-chlorophenyl)-2-[1-[3-[2-(2-methyl-4-pyridinyl)acetyl]phenyl]pyrazol-4-yl]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[1-[3-[2-(2-methyl-4-pyridinyl)acetyl]phenyl]pyrazol-4-yl]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[1-[3-[2-(2-methyl-4-pyridinyl)acetyl]phenyl]pyrazol-4-yl]acetamide is Cc1cc(CC(=O)c2cccc(-n3cc(CC(=O)Nc4ccccc4Cl)cn3)c2)ccn1.
What is the InChIKey of N-(2-chlorophenyl)-2-[1-[3-[2-(2-methyl-4-pyridinyl)acetyl]phenyl]pyrazol-4-yl]acetamide?
The InChIKey is PEUIDJAMPYWEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN4O2/c1-17-11-18(9-10-27-17)12-24(31)20-5-4-6-21(14-20)30-16-19(15-28-30)13-25(32)29-23-8-3-2-7-22(23)26/h2-11,14-16H,12-13H2,1H3,(H,29,32).
What are the key properties of N-(2-chlorophenyl)-2-[1-[3-[2-(2-methyl-4-pyridinyl)acetyl]phenyl]pyrazol-4-yl]acetamide?
N-(2-chlorophenyl)-2-[1-[3-[2-(2-methyl-4-pyridinyl)acetyl]phenyl]pyrazol-4-yl]acetamide has a molecular weight of 444.92 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[1-[3-[2-(2-methyl-4-pyridinyl)acetyl]phenyl]pyrazol-4-yl]acetamide is sourced from PubChem (CID 159311926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).