N-[(Z)-[1-(2-methylphenyl)-3-phenylpyrazol-4-yl]methylideneamino]-1H-pyrrole-2-carboxamide

C22H19N5O — CID 9027170

IUPACN-[(Z)-[1-(2-methylphenyl)-3-phenylpyrazol-4-yl]methylideneamino]-1H-pyrrole-2-carboxamide
SMILESCc1ccccc1-n1cc(/C=N\NC(=O)c2ccc[nH]2)c(-c2ccccc2)n1
InChIInChI=1S/C22H19N5O/c1-16-8-5-6-12-20(16)27-15-18(21(26-27)17-9-3-2-4-10-17)14-24-25-22(28)19-11-7-13-23-19/h2-15,23H,1H3,(H,25,28)/b24-14-
InChIKeyHRIVUEVWIGLBIU-OYKKKHCWSA-N
MW369.43 g/mol
LogP3.94
Rot. Bonds5

About N-[(Z)-[1-(2-methylphenyl)-3-phenylpyrazol-4-yl]methylideneamino]-1H-pyrrole-2-carboxamide

N-[(Z)-[1-(2-methylphenyl)-3-phenylpyrazol-4-yl]methylideneamino]-1H-pyrrole-2-carboxamide (PubChem CID 9027170) has the molecular formula C22H19N5O and a molecular weight of 369.43 g/mol. Its IUPAC name is N-[(Z)-[1-(2-methylphenyl)-3-phenylpyrazol-4-yl]methylideneamino]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[1-(2-methylphenyl)-3-phenylpyrazol-4-yl]methylideneamino]-1H-pyrrole-2-carboxamide
PubChem CID9027170
Molecular FormulaC22H19N5O
Molecular Weight369.43 g/mol
Exact Mass369.16
IUPAC NameN-[(Z)-[1-(2-methylphenyl)-3-phenylpyrazol-4-yl]methylideneamino]-1H-pyrrole-2-carboxamide
SMILESCc1ccccc1-n1cc(/C=N\NC(=O)c2ccc[nH]2)c(-c2ccccc2)n1
InChIInChI=1S/C22H19N5O/c1-16-8-5-6-12-20(16)27-15-18(21(26-27)17-9-3-2-4-10-17)14-24-25-22(28)19-11-7-13-23-19/h2-15,23H,1H3,(H,25,28)/b24-14-
InChIKeyHRIVUEVWIGLBIU-OYKKKHCWSA-N
XLogP3.94
TPSA75.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-N-[(Z)-[1-(2-methylphenyl)-3-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 9214901
4-methoxy-N-[(Z)-[1-(2-methylphenyl)-3-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 9231607
N-cyclopropyl-N'-[(Z)-[1-(2-methylphenyl)-3-phenylpyrazol-4-yl]methylideneamino]oxamide
CID 9352748
N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-fluorobenzamide
CID 6179485
N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-hydroxybenzamide
CID 6906212
N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]cyclopropanecarboxamide
CID 40646787
N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]-3-hydroxybenzamide
CID 1051210
4-chloro-N-[(E)-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 6872953
4-[(Z)-[1-(2-methylphenyl)-3-phenylpyrazol-4-yl]methylideneamino]-1H-1,2,4-triazole-5-thione
CID 9296133
N-[(Z)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-1H-pyrrole-2-carboxamide
CID 9025931
N-[(Z)-(4-methylphenyl)methylideneamino]-1H-pyrrole-2-carboxamide
CID 9025710
2-chloro-N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]acetamide
CID 6899907

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[1-(2-methylphenyl)-3-phenylpyrazol-4-yl]methylideneamino]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[(Z)-[1-(2-methylphenyl)-3-phenylpyrazol-4-yl]methylideneamino]-1H-pyrrole-2-carboxamide (CID 9027170) is N-[(Z)-[1-(2-methylphenyl)-3-phenylpyrazol-4-yl]methylideneamino]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[(Z)-[1-(2-methylphenyl)-3-phenylpyrazol-4-yl]methylideneamino]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[(Z)-[1-(2-methylphenyl)-3-phenylpyrazol-4-yl]methylideneamino]-1H-pyrrole-2-carboxamide is Cc1ccccc1-n1cc(/C=N\NC(=O)c2ccc[nH]2)c(-c2ccccc2)n1.
What is the InChIKey of N-[(Z)-[1-(2-methylphenyl)-3-phenylpyrazol-4-yl]methylideneamino]-1H-pyrrole-2-carboxamide?
The InChIKey is HRIVUEVWIGLBIU-OYKKKHCWSA-N. The full InChI is InChI=1S/C22H19N5O/c1-16-8-5-6-12-20(16)27-15-18(21(26-27)17-9-3-2-4-10-17)14-24-25-22(28)19-11-7-13-23-19/h2-15,23H,1H3,(H,25,28)/b24-14-.
What are the key properties of N-[(Z)-[1-(2-methylphenyl)-3-phenylpyrazol-4-yl]methylideneamino]-1H-pyrrole-2-carboxamide?
N-[(Z)-[1-(2-methylphenyl)-3-phenylpyrazol-4-yl]methylideneamino]-1H-pyrrole-2-carboxamide has a molecular weight of 369.43 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[1-(2-methylphenyl)-3-phenylpyrazol-4-yl]methylideneamino]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 9027170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).