1-(3-acetylphenyl)-3-(4-cyano-1-methylpyrazol-5-yl)urea

C14H13N5O2 — CID 79497152

IUPAC1-(3-acetylphenyl)-3-(4-cyano-1-methylpyrazol-5-yl)urea
SMILESCC(=O)c1cccc(NC(=O)Nc2c(C#N)cnn2C)c1
InChIInChI=1S/C14H13N5O2/c1-9(20)10-4-3-5-12(6-10)17-14(21)18-13-11(7-15)8-16-19(13)2/h3-6,8H,1-2H3,(H2,17,18,21)
InChIKeyRAUZHZXJBYLDOP-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.14
Rot. Bonds3

About 1-(3-acetylphenyl)-3-(4-cyano-1-methylpyrazol-5-yl)urea

1-(3-acetylphenyl)-3-(4-cyano-1-methylpyrazol-5-yl)urea (PubChem CID 79497152) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 1-(3-acetylphenyl)-3-(4-cyano-1-methylpyrazol-5-yl)urea.

Molecular Properties

Compound Name1-(3-acetylphenyl)-3-(4-cyano-1-methylpyrazol-5-yl)urea
PubChem CID79497152
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC Name1-(3-acetylphenyl)-3-(4-cyano-1-methylpyrazol-5-yl)urea
SMILESCC(=O)c1cccc(NC(=O)Nc2c(C#N)cnn2C)c1
InChIInChI=1S/C14H13N5O2/c1-9(20)10-4-3-5-12(6-10)17-14(21)18-13-11(7-15)8-16-19(13)2/h3-6,8H,1-2H3,(H2,17,18,21)
InChIKeyRAUZHZXJBYLDOP-UHFFFAOYSA-N
XLogP2.14
TPSA99.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-cyano-1-methylpyrazol-5-yl)-3-(3-fluorophenyl)urea
CID 79503956
1-tert-butyl-3-(4-cyano-1-methylpyrazol-5-yl)urea
CID 79504321
1-[3-(4-cyano-1-methylpyrazol-5-yl)phenyl]-3-(4-propan-2-ylphenyl)urea
CID 10172387
N-(4-cyano-1-methylpyrazol-5-yl)-6-methylpyridine-2-carboxamide
CID 110472162
4-cyano-N-(4-cyano-1-methylpyrazol-5-yl)benzamide
CID 112723104
N-(4-cyano-1-methylpyrazol-5-yl)-3,4-dimethylbenzamide
CID 112723715
phenyl N-(4-cyano-1-methylpyrazol-5-yl)carbamate
CID 79503955
1-[4-cyano-1-(4,6-dimethylpyrimidin-2-yl)pyrazol-5-yl]-3-phenylurea
CID 17067816
2-amino-N-(4-cyano-1-methylpyrazol-5-yl)acetamide
CID 110470006
2,2,2-trichloro-N-(4-cyano-1-methylpyrazol-5-yl)acetamide
CID 108737045
N-(4-cyano-1-methylpyrazol-5-yl)-2-(3-methoxyphenyl)acetamide
CID 112723108
N-(4-cyano-1-methylpyrazol-5-yl)-2-methoxy-2-phenylacetamide
CID 79504037

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenyl)-3-(4-cyano-1-methylpyrazol-5-yl)urea?
The IUPAC name of 1-(3-acetylphenyl)-3-(4-cyano-1-methylpyrazol-5-yl)urea (CID 79497152) is 1-(3-acetylphenyl)-3-(4-cyano-1-methylpyrazol-5-yl)urea.
What is the SMILES notation for 1-(3-acetylphenyl)-3-(4-cyano-1-methylpyrazol-5-yl)urea?
The canonical SMILES for 1-(3-acetylphenyl)-3-(4-cyano-1-methylpyrazol-5-yl)urea is CC(=O)c1cccc(NC(=O)Nc2c(C#N)cnn2C)c1.
What is the InChIKey of 1-(3-acetylphenyl)-3-(4-cyano-1-methylpyrazol-5-yl)urea?
The InChIKey is RAUZHZXJBYLDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c1-9(20)10-4-3-5-12(6-10)17-14(21)18-13-11(7-15)8-16-19(13)2/h3-6,8H,1-2H3,(H2,17,18,21).
What are the key properties of 1-(3-acetylphenyl)-3-(4-cyano-1-methylpyrazol-5-yl)urea?
1-(3-acetylphenyl)-3-(4-cyano-1-methylpyrazol-5-yl)urea has a molecular weight of 283.29 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylphenyl)-3-(4-cyano-1-methylpyrazol-5-yl)urea is sourced from PubChem (CID 79497152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).