5-amino-N-[5-(ethylcarbamoyl)-2-methylphenyl]-1-phenylpyrazole-4-carboxamide

C20H21N5O2 — CID 52944905

IUPAC5-amino-N-[5-(ethylcarbamoyl)-2-methylphenyl]-1-phenylpyrazole-4-carboxamide
SMILESCCNC(=O)c1ccc(C)c(NC(=O)c2cnn(-c3ccccc3)c2N)c1
InChIInChI=1S/C20H21N5O2/c1-3-22-19(26)14-10-9-13(2)17(11-14)24-20(27)16-12-23-25(18(16)21)15-7-5-4-6-8-15/h4-12H,3,21H2,1-2H3,(H,22,26)(H,24,27)
InChIKeyWQYKZGIXFCFNLS-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.76
Rot. Bonds5

About 5-amino-N-[5-(ethylcarbamoyl)-2-methylphenyl]-1-phenylpyrazole-4-carboxamide

5-amino-N-[5-(ethylcarbamoyl)-2-methylphenyl]-1-phenylpyrazole-4-carboxamide (PubChem CID 52944905) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 5-amino-N-[5-(ethylcarbamoyl)-2-methylphenyl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-[5-(ethylcarbamoyl)-2-methylphenyl]-1-phenylpyrazole-4-carboxamide
PubChem CID52944905
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name5-amino-N-[5-(ethylcarbamoyl)-2-methylphenyl]-1-phenylpyrazole-4-carboxamide
SMILESCCNC(=O)c1ccc(C)c(NC(=O)c2cnn(-c3ccccc3)c2N)c1
InChIInChI=1S/C20H21N5O2/c1-3-22-19(26)14-10-9-13(2)17(11-14)24-20(27)16-12-23-25(18(16)21)15-7-5-4-6-8-15/h4-12H,3,21H2,1-2H3,(H,22,26)(H,24,27)
InChIKeyWQYKZGIXFCFNLS-UHFFFAOYSA-N
XLogP2.76
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[5-(ethylcarbamoyl)-2-methylphenyl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-[5-(ethylcarbamoyl)-2-methylphenyl]-1-phenylpyrazole-4-carboxamide (CID 52944905) is 5-amino-N-[5-(ethylcarbamoyl)-2-methylphenyl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-[5-(ethylcarbamoyl)-2-methylphenyl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-[5-(ethylcarbamoyl)-2-methylphenyl]-1-phenylpyrazole-4-carboxamide is CCNC(=O)c1ccc(C)c(NC(=O)c2cnn(-c3ccccc3)c2N)c1.
What is the InChIKey of 5-amino-N-[5-(ethylcarbamoyl)-2-methylphenyl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is WQYKZGIXFCFNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-3-22-19(26)14-10-9-13(2)17(11-14)24-20(27)16-12-23-25(18(16)21)15-7-5-4-6-8-15/h4-12H,3,21H2,1-2H3,(H,22,26)(H,24,27).
What are the key properties of 5-amino-N-[5-(ethylcarbamoyl)-2-methylphenyl]-1-phenylpyrazole-4-carboxamide?
5-amino-N-[5-(ethylcarbamoyl)-2-methylphenyl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 2.76, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[5-(ethylcarbamoyl)-2-methylphenyl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 52944905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).