N-(4-cyano-1-methylpyrazol-5-yl)-2-methoxy-2-phenylacetamide

C14H14N4O2 — CID 79504037

IUPACN-(4-cyano-1-methylpyrazol-5-yl)-2-methoxy-2-phenylacetamide
SMILESCOC(C(=O)Nc1c(C#N)cnn1C)c1ccccc1
InChIInChI=1S/C14H14N4O2/c1-18-13(11(8-15)9-16-18)17-14(19)12(20-2)10-6-4-3-5-7-10/h3-7,9,12H,1-2H3,(H,17,19)
InChIKeyJZOISVYJQRRRNE-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.62
Rot. Bonds4

About N-(4-cyano-1-methylpyrazol-5-yl)-2-methoxy-2-phenylacetamide

N-(4-cyano-1-methylpyrazol-5-yl)-2-methoxy-2-phenylacetamide (PubChem CID 79504037) 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-methoxy-2-phenylacetamide.

Molecular Properties

Compound NameN-(4-cyano-1-methylpyrazol-5-yl)-2-methoxy-2-phenylacetamide
PubChem CID79504037
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC NameN-(4-cyano-1-methylpyrazol-5-yl)-2-methoxy-2-phenylacetamide
SMILESCOC(C(=O)Nc1c(C#N)cnn1C)c1ccccc1
InChIInChI=1S/C14H14N4O2/c1-18-13(11(8-15)9-16-18)17-14(19)12(20-2)10-6-4-3-5-7-10/h3-7,9,12H,1-2H3,(H,17,19)
InChIKeyJZOISVYJQRRRNE-UHFFFAOYSA-N
XLogP1.62
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 ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

phenyl N-(4-cyano-1-methylpyrazol-5-yl)carbamate
CID 79503955
N-(4-cyano-1-methylpyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
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4-cyano-N-(4-cyano-1-methylpyrazol-5-yl)benzamide
CID 112723104
2,2,2-trichloro-N-(4-cyano-1-methylpyrazol-5-yl)acetamide
CID 108737045
2-amino-N-(4-cyano-1-methylpyrazol-5-yl)acetamide
CID 110470006
N-(4-cyano-1-methylpyrazol-5-yl)-2-(3-methoxyphenyl)acetamide
CID 112723108
2-[3-amino-5-(2-phenylethylsulfanyl)-1,2,4-triazol-4-yl]-N-(4-cyano-1-methylpyrazol-5-yl)propanamide
CID 46305642
1-tert-butyl-3-(4-cyano-1-methylpyrazol-5-yl)urea
CID 79504321
N-(4-cyano-1-methylpyrazol-5-yl)-6-methylpyridine-2-carboxamide
CID 110472162
N-(4-cyano-1-methylpyrazol-5-yl)-2-methoxy-2-methylbutanamide
CID 114105647
(2S)-N-(3-cyano-5-ethylthiophen-2-yl)-2-methoxy-2-phenylacetamide
CID 124616555
N-(4-cyano-1-methylpyrazol-5-yl)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanamide
CID 108737036

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-methylpyrazol-5-yl)-2-methoxy-2-phenylacetamide?
The IUPAC name of N-(4-cyano-1-methylpyrazol-5-yl)-2-methoxy-2-phenylacetamide (CID 79504037) is N-(4-cyano-1-methylpyrazol-5-yl)-2-methoxy-2-phenylacetamide.
What is the SMILES notation for N-(4-cyano-1-methylpyrazol-5-yl)-2-methoxy-2-phenylacetamide?
The canonical SMILES for N-(4-cyano-1-methylpyrazol-5-yl)-2-methoxy-2-phenylacetamide is COC(C(=O)Nc1c(C#N)cnn1C)c1ccccc1.
What is the InChIKey of N-(4-cyano-1-methylpyrazol-5-yl)-2-methoxy-2-phenylacetamide?
The InChIKey is JZOISVYJQRRRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-18-13(11(8-15)9-16-18)17-14(19)12(20-2)10-6-4-3-5-7-10/h3-7,9,12H,1-2H3,(H,17,19).
What are the key properties of N-(4-cyano-1-methylpyrazol-5-yl)-2-methoxy-2-phenylacetamide?
N-(4-cyano-1-methylpyrazol-5-yl)-2-methoxy-2-phenylacetamide has a molecular weight of 270.29 g/mol, XLogP of 1.62, 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-methoxy-2-phenylacetamide is sourced from PubChem (CID 79504037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).