5-amino-N-[2-methyl-5-(methylcarbamoyl)phenyl]-1-phenylpyrazole-4-carboxamide

C19H19N5O2 — CID 52946108

IUPAC5-amino-N-[2-methyl-5-(methylcarbamoyl)phenyl]-1-phenylpyrazole-4-carboxamide
SMILESCNC(=O)c1ccc(C)c(NC(=O)c2cnn(-c3ccccc3)c2N)c1
InChIInChI=1S/C19H19N5O2/c1-12-8-9-13(18(25)21-2)10-16(12)23-19(26)15-11-22-24(17(15)20)14-6-4-3-5-7-14/h3-11H,20H2,1-2H3,(H,21,25)(H,23,26)
InChIKeyGZIULPWSOBNHEU-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.37
Rot. Bonds4

About 5-amino-N-[2-methyl-5-(methylcarbamoyl)phenyl]-1-phenylpyrazole-4-carboxamide

5-amino-N-[2-methyl-5-(methylcarbamoyl)phenyl]-1-phenylpyrazole-4-carboxamide (PubChem CID 52946108) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 5-amino-N-[2-methyl-5-(methylcarbamoyl)phenyl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-[2-methyl-5-(methylcarbamoyl)phenyl]-1-phenylpyrazole-4-carboxamide
PubChem CID52946108
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name5-amino-N-[2-methyl-5-(methylcarbamoyl)phenyl]-1-phenylpyrazole-4-carboxamide
SMILESCNC(=O)c1ccc(C)c(NC(=O)c2cnn(-c3ccccc3)c2N)c1
InChIInChI=1S/C19H19N5O2/c1-12-8-9-13(18(25)21-2)10-16(12)23-19(26)15-11-22-24(17(15)20)14-6-4-3-5-7-14/h3-11H,20H2,1-2H3,(H,21,25)(H,23,26)
InChIKeyGZIULPWSOBNHEU-UHFFFAOYSA-N
XLogP2.37
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-methyl-5-(methylcarbamoyl)phenyl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-[2-methyl-5-(methylcarbamoyl)phenyl]-1-phenylpyrazole-4-carboxamide (CID 52946108) is 5-amino-N-[2-methyl-5-(methylcarbamoyl)phenyl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-[2-methyl-5-(methylcarbamoyl)phenyl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-[2-methyl-5-(methylcarbamoyl)phenyl]-1-phenylpyrazole-4-carboxamide is CNC(=O)c1ccc(C)c(NC(=O)c2cnn(-c3ccccc3)c2N)c1.
What is the InChIKey of 5-amino-N-[2-methyl-5-(methylcarbamoyl)phenyl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is GZIULPWSOBNHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-12-8-9-13(18(25)21-2)10-16(12)23-19(26)15-11-22-24(17(15)20)14-6-4-3-5-7-14/h3-11H,20H2,1-2H3,(H,21,25)(H,23,26).
What are the key properties of 5-amino-N-[2-methyl-5-(methylcarbamoyl)phenyl]-1-phenylpyrazole-4-carboxamide?
5-amino-N-[2-methyl-5-(methylcarbamoyl)phenyl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 2.37, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-methyl-5-(methylcarbamoyl)phenyl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 52946108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).