N-(4-aminophenyl)-3-(4-methylphenyl)-1-quinolin-2-ylpyrazole-5-carboxamide

C26H21N5O — CID 134155305

IUPACN-(4-aminophenyl)-3-(4-methylphenyl)-1-quinolin-2-ylpyrazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3ccc(N)cc3)n(-c3ccc4ccccc4n3)n2)cc1
InChIInChI=1S/C26H21N5O/c1-17-6-8-19(9-7-17)23-16-24(26(32)28-21-13-11-20(27)12-14-21)31(30-23)25-15-10-18-4-2-3-5-22(18)29-25/h2-16H,27H2,1H3,(H,28,32)
InChIKeyPJZUYEVJTDXSRL-UHFFFAOYSA-N
MW419.49 g/mol
LogP5.23
Rot. Bonds4

About N-(4-aminophenyl)-3-(4-methylphenyl)-1-quinolin-2-ylpyrazole-5-carboxamide

N-(4-aminophenyl)-3-(4-methylphenyl)-1-quinolin-2-ylpyrazole-5-carboxamide (PubChem CID 134155305) has the molecular formula C26H21N5O and a molecular weight of 419.49 g/mol. Its IUPAC name is N-(4-aminophenyl)-3-(4-methylphenyl)-1-quinolin-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-3-(4-methylphenyl)-1-quinolin-2-ylpyrazole-5-carboxamide
PubChem CID134155305
Molecular FormulaC26H21N5O
Molecular Weight419.49 g/mol
Exact Mass419.17
IUPAC NameN-(4-aminophenyl)-3-(4-methylphenyl)-1-quinolin-2-ylpyrazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3ccc(N)cc3)n(-c3ccc4ccccc4n3)n2)cc1
InChIInChI=1S/C26H21N5O/c1-17-6-8-19(9-7-17)23-16-24(26(32)28-21-13-11-20(27)12-14-21)31(30-23)25-15-10-18-4-2-3-5-22(18)29-25/h2-16H,27H2,1H3,(H,28,32)
InChIKeyPJZUYEVJTDXSRL-UHFFFAOYSA-N
XLogP5.23
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.49
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-diaminoquinazolin-6-yl)-3-methyl-N-[4-(2-sulfamoylphenyl)phenyl]-1H-pyrazole-5-carboxamide
CID 10186048
2-Benzoylaminoquinazoline-4-carboxyanilide
CID 24749708
5-Amino-1-Tert-Butyl-3-(Quinolin-2-Yl)-1h-Pyrazole-4-Carboxamide
CID 71737847
Cambridge id 6030410
CID 761228
N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methylquinolin-6-yl]-4-phenylbenzamide
CID 44407991
3,5-dimethyl-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide
CID 51193529
1-(2-ethylphenyl)-5-methyl-N-quinolin-2-ylpyrazole-3-carboxamide
CID 137375515
1-phenyl-N-quinolin-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 137375524
5-ethyl-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide
CID 137375539
1-phenyl-N-quinolin-2-yl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 137375547
5-methyl-1-(2-phenylphenyl)-N-quinolin-2-yltriazole-4-carboxamide
CID 137375551
5-methyl-1-(2-methylphenyl)-N-quinolin-2-yltriazole-4-carboxamide
CID 137375558

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-3-(4-methylphenyl)-1-quinolin-2-ylpyrazole-5-carboxamide?
The IUPAC name of N-(4-aminophenyl)-3-(4-methylphenyl)-1-quinolin-2-ylpyrazole-5-carboxamide (CID 134155305) is N-(4-aminophenyl)-3-(4-methylphenyl)-1-quinolin-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for N-(4-aminophenyl)-3-(4-methylphenyl)-1-quinolin-2-ylpyrazole-5-carboxamide?
The canonical SMILES for N-(4-aminophenyl)-3-(4-methylphenyl)-1-quinolin-2-ylpyrazole-5-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3ccc(N)cc3)n(-c3ccc4ccccc4n3)n2)cc1.
What is the InChIKey of N-(4-aminophenyl)-3-(4-methylphenyl)-1-quinolin-2-ylpyrazole-5-carboxamide?
The InChIKey is PJZUYEVJTDXSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O/c1-17-6-8-19(9-7-17)23-16-24(26(32)28-21-13-11-20(27)12-14-21)31(30-23)25-15-10-18-4-2-3-5-22(18)29-25/h2-16H,27H2,1H3,(H,28,32).
What are the key properties of N-(4-aminophenyl)-3-(4-methylphenyl)-1-quinolin-2-ylpyrazole-5-carboxamide?
N-(4-aminophenyl)-3-(4-methylphenyl)-1-quinolin-2-ylpyrazole-5-carboxamide has a molecular weight of 419.49 g/mol, XLogP of 5.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-3-(4-methylphenyl)-1-quinolin-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 134155305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).