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

C18H15N5O2 — CID 51102446

IUPAC2-(4-cyanophenoxy)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)acetamide
SMILESCc1c(NC(=O)COc2ccc(C#N)cc2)n[nH]c1-c1ccncc1
InChIInChI=1S/C18H15N5O2/c1-12-17(14-6-8-20-9-7-14)22-23-18(12)21-16(24)11-25-15-4-2-13(10-19)3-5-15/h2-9H,11H2,1H3,(H2,21,22,23,24)
InChIKeyISJUEQRCDQFROJ-UHFFFAOYSA-N
MW333.35 g/mol
LogP2.67
Rot. Bonds5

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

2-(4-cyanophenoxy)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)acetamide (PubChem CID 51102446) has the molecular formula C18H15N5O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)acetamide
PubChem CID51102446
Molecular FormulaC18H15N5O2
Molecular Weight333.35 g/mol
Exact Mass333.12
IUPAC Name2-(4-cyanophenoxy)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)acetamide
SMILESCc1c(NC(=O)COc2ccc(C#N)cc2)n[nH]c1-c1ccncc1
InChIInChI=1S/C18H15N5O2/c1-12-17(14-6-8-20-9-7-14)22-23-18(12)21-16(24)11-25-15-4-2-13(10-19)3-5-15/h2-9H,11H2,1H3,(H2,21,22,23,24)
InChIKeyISJUEQRCDQFROJ-UHFFFAOYSA-N
XLogP2.67
TPSA103.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenoxy)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)acetamide
CID 163863888
2-(4-cyanophenoxy)-N-(3,4-dimethylphenyl)acetamide
CID 8744068
2-(4-aminophenoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide
CID 104616438
N-(4-cyanophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7966728
2-(4-cyanophenoxy)-N-(2H-tetrazol-5-yl)acetamide
CID 2374767
N-(3-acetamido-2-methylphenyl)-2-(4-cyanophenoxy)acetamide
CID 134019347
2-(4-cyanophenoxy)-N-pyridin-3-ylacetamide
CID 24707250
3-(2-chloro-1,3-thiazol-5-yl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide
CID 169305288
N-(4-cyanophenyl)-2-[4-(methylamino)phenoxy]acetamide
CID 61027849
2-(4-cyanophenoxy)-N-(5-fluoro-2-methylphenyl)acetamide
CID 7961641
2-(4-cyanophenoxy)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 103725950
2-(3,4-dimethylphenoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide
CID 115594824

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)acetamide (CID 51102446) is 2-(4-cyanophenoxy)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)acetamide is Cc1c(NC(=O)COc2ccc(C#N)cc2)n[nH]c1-c1ccncc1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)acetamide?
The InChIKey is ISJUEQRCDQFROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2/c1-12-17(14-6-8-20-9-7-14)22-23-18(12)21-16(24)11-25-15-4-2-13(10-19)3-5-15/h2-9H,11H2,1H3,(H2,21,22,23,24).
What are the key properties of 2-(4-cyanophenoxy)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)acetamide?
2-(4-cyanophenoxy)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)acetamide has a molecular weight of 333.35 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 51102446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).