N-(4-cyano-1-methylpyrazol-5-yl)-2-(3-methoxyphenyl)acetamide

C14H14N4O2 — CID 112723108

IUPACN-(4-cyano-1-methylpyrazol-5-yl)-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)Nc2c(C#N)cnn2C)c1
InChIInChI=1S/C14H14N4O2/c1-18-14(11(8-15)9-16-18)17-13(19)7-10-4-3-5-12(6-10)20-2/h3-6,9H,7H2,1-2H3,(H,17,19)
InChIKeyDIRJVQHWZWPCPR-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.48
Rot. Bonds4

About N-(4-cyano-1-methylpyrazol-5-yl)-2-(3-methoxyphenyl)acetamide

N-(4-cyano-1-methylpyrazol-5-yl)-2-(3-methoxyphenyl)acetamide (PubChem CID 112723108) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is N-(4-cyano-1-methylpyrazol-5-yl)-2-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(4-cyano-1-methylpyrazol-5-yl)-2-(3-methoxyphenyl)acetamide
PubChem CID112723108
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC NameN-(4-cyano-1-methylpyrazol-5-yl)-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)Nc2c(C#N)cnn2C)c1
InChIInChI=1S/C14H14N4O2/c1-18-14(11(8-15)9-16-18)17-13(19)7-10-4-3-5-12(6-10)20-2/h3-6,9H,7H2,1-2H3,(H,17,19)
InChIKeyDIRJVQHWZWPCPR-UHFFFAOYSA-N
XLogP1.48
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 17088858
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N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-2-(3-methoxyphenyl)acetamide
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N-(4-cyano-1-methylpyrazol-5-yl)-4-(2-methylphenoxy)butanamide
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2-(3-methoxyphenyl)-N-phenylacetamide
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N-(4-cyano-1-methylpyrazol-5-yl)-2-methoxy-2-phenylacetamide
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N-(4-cyano-1-methylpyrazol-5-yl)-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108737075
2-cyano-N-[(3-methoxyphenyl)methyl]acetamide
CID 55134556
N-[4-(cyanomethoxy)phenyl]-2-(3-methoxyphenyl)acetamide
CID 30874438
N-(2-cyanopropan-2-yl)-2-(3-methoxyphenyl)acetamide
CID 54904477
[(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl] 2-(3-methoxyphenyl)acetate
CID 8792692
N-(6-amino-3-pyridinyl)-2-(3-methoxyphenyl)acetamide
CID 62899176

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-methylpyrazol-5-yl)-2-(3-methoxyphenyl)acetamide?
The IUPAC name of N-(4-cyano-1-methylpyrazol-5-yl)-2-(3-methoxyphenyl)acetamide (CID 112723108) is N-(4-cyano-1-methylpyrazol-5-yl)-2-(3-methoxyphenyl)acetamide.
What is the SMILES notation for N-(4-cyano-1-methylpyrazol-5-yl)-2-(3-methoxyphenyl)acetamide?
The canonical SMILES for N-(4-cyano-1-methylpyrazol-5-yl)-2-(3-methoxyphenyl)acetamide is COc1cccc(CC(=O)Nc2c(C#N)cnn2C)c1.
What is the InChIKey of N-(4-cyano-1-methylpyrazol-5-yl)-2-(3-methoxyphenyl)acetamide?
The InChIKey is DIRJVQHWZWPCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-18-14(11(8-15)9-16-18)17-13(19)7-10-4-3-5-12(6-10)20-2/h3-6,9H,7H2,1-2H3,(H,17,19).
What are the key properties of N-(4-cyano-1-methylpyrazol-5-yl)-2-(3-methoxyphenyl)acetamide?
N-(4-cyano-1-methylpyrazol-5-yl)-2-(3-methoxyphenyl)acetamide has a molecular weight of 270.29 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-methylpyrazol-5-yl)-2-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 112723108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).