2-(4-chlorophenoxy)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)acetamide

C17H15ClN4O2 — CID 163863888

IUPAC2-(4-chlorophenoxy)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)acetamide
SMILESCc1c(NC(=O)COc2ccc(Cl)cc2)n[nH]c1-c1ccncc1
InChIInChI=1S/C17H15ClN4O2/c1-11-16(12-6-8-19-9-7-12)21-22-17(11)20-15(23)10-24-14-4-2-13(18)3-5-14/h2-9H,10H2,1H3,(H2,20,21,22,23)
InChIKeyPEXOYZACQPNCAW-UHFFFAOYSA-N
MW342.79 g/mol
LogP3.45
Rot. Bonds5

About 2-(4-chlorophenoxy)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)acetamide

2-(4-chlorophenoxy)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)acetamide (PubChem CID 163863888) has the molecular formula C17H15ClN4O2 and a molecular weight of 342.79 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)acetamide
PubChem CID163863888
Molecular FormulaC17H15ClN4O2
Molecular Weight342.79 g/mol
Exact Mass342.09
IUPAC Name2-(4-chlorophenoxy)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)acetamide
SMILESCc1c(NC(=O)COc2ccc(Cl)cc2)n[nH]c1-c1ccncc1
InChIInChI=1S/C17H15ClN4O2/c1-11-16(12-6-8-19-9-7-12)21-22-17(11)20-15(23)10-24-14-4-2-13(18)3-5-14/h2-9H,10H2,1H3,(H2,20,21,22,23)
InChIKeyPEXOYZACQPNCAW-UHFFFAOYSA-N
XLogP3.45
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-cyanophenoxy)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)acetamide
CID 51102446
3-(4-chlorophenyl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-ynamide
CID 169305409
2-(4-chlorophenoxy)-N-pyridin-4-ylacetamide;hydrochloride
CID 163329233
3-(2-chloro-1,3-thiazol-5-yl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide
CID 169305288
3-(4-chlorophenyl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-ynamide;2,2,2-trifluoroacetic acid
CID 175903068
2-(4-chlorophenoxy)-N-(4-methyl-3-pyridinyl)acetamide
CID 56826553
2-(4-chlorophenoxy)-N-[5-methyl-4-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-yl]acetamide
CID 53197969
2-(4-chlorophenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 5305539
2-(4-aminophenoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide
CID 104616438
3-(3,5-dichlorophenyl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide
CID 169305342
2-(4-chlorophenoxy)-N-[1-[[2-(4-chlorophenoxy)acetyl]amino]-2,6-naphthyridin-4-yl]acetamide
CID 139559406
N-(5-amino-3-methyl-2-pyridinyl)-2-(4-chlorophenoxy)acetamide
CID 115910719

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)acetamide (CID 163863888) is 2-(4-chlorophenoxy)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)acetamide is Cc1c(NC(=O)COc2ccc(Cl)cc2)n[nH]c1-c1ccncc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)acetamide?
The InChIKey is PEXOYZACQPNCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O2/c1-11-16(12-6-8-19-9-7-12)21-22-17(11)20-15(23)10-24-14-4-2-13(18)3-5-14/h2-9H,10H2,1H3,(H2,20,21,22,23).
What are the key properties of 2-(4-chlorophenoxy)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)acetamide?
2-(4-chlorophenoxy)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)acetamide has a molecular weight of 342.79 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 163863888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).