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

C19H19N5O2 — CID 155511959

IUPAC5-amino-N-[[4-(methylcarbamoyl)phenyl]methyl]-1-phenylpyrazole-4-carboxamide
SMILESCNC(=O)c1ccc(CNC(=O)c2cnn(-c3ccccc3)c2N)cc1
InChIInChI=1S/C19H19N5O2/c1-21-18(25)14-9-7-13(8-10-14)11-22-19(26)16-12-23-24(17(16)20)15-5-3-2-4-6-15/h2-10,12H,11,20H2,1H3,(H,21,25)(H,22,26)
InChIKeyMDGVSIHSUHZPMR-UHFFFAOYSA-N
MW349.39 g/mol
LogP1.74
Rot. Bonds5

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

5-amino-N-[[4-(methylcarbamoyl)phenyl]methyl]-1-phenylpyrazole-4-carboxamide (PubChem CID 155511959) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 5-amino-N-[[4-(methylcarbamoyl)phenyl]methyl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-[[4-(methylcarbamoyl)phenyl]methyl]-1-phenylpyrazole-4-carboxamide
PubChem CID155511959
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name5-amino-N-[[4-(methylcarbamoyl)phenyl]methyl]-1-phenylpyrazole-4-carboxamide
SMILESCNC(=O)c1ccc(CNC(=O)c2cnn(-c3ccccc3)c2N)cc1
InChIInChI=1S/C19H19N5O2/c1-21-18(25)14-9-7-13(8-10-14)11-22-19(26)16-12-23-24(17(16)20)15-5-3-2-4-6-15/h2-10,12H,11,20H2,1H3,(H,21,25)(H,22,26)
InChIKeyMDGVSIHSUHZPMR-UHFFFAOYSA-N
XLogP1.74
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[[4-(methylcarbamoyl)phenyl]methyl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-[[4-(methylcarbamoyl)phenyl]methyl]-1-phenylpyrazole-4-carboxamide (CID 155511959) is 5-amino-N-[[4-(methylcarbamoyl)phenyl]methyl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-[[4-(methylcarbamoyl)phenyl]methyl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-[[4-(methylcarbamoyl)phenyl]methyl]-1-phenylpyrazole-4-carboxamide is CNC(=O)c1ccc(CNC(=O)c2cnn(-c3ccccc3)c2N)cc1.
What is the InChIKey of 5-amino-N-[[4-(methylcarbamoyl)phenyl]methyl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is MDGVSIHSUHZPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-21-18(25)14-9-7-13(8-10-14)11-22-19(26)16-12-23-24(17(16)20)15-5-3-2-4-6-15/h2-10,12H,11,20H2,1H3,(H,21,25)(H,22,26).
What are the key properties of 5-amino-N-[[4-(methylcarbamoyl)phenyl]methyl]-1-phenylpyrazole-4-carboxamide?
5-amino-N-[[4-(methylcarbamoyl)phenyl]methyl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 1.74, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[[4-(methylcarbamoyl)phenyl]methyl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 155511959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).