5-amino-N-[(4-nitrophenyl)methylideneamino]-1-phenylpyrazole-4-carboxamide

C17H14N6O3 — CID 2813638

IUPAC5-amino-N-[(4-nitrophenyl)methylideneamino]-1-phenylpyrazole-4-carboxamide
SMILESNc1c(C(=O)NN=Cc2ccc([N+](=O)[O-])cc2)cnn1-c1ccccc1
InChIInChI=1S/C17H14N6O3/c18-16-15(11-20-22(16)13-4-2-1-3-5-13)17(24)21-19-10-12-6-8-14(9-7-12)23(25)26/h1-11H,18H2,(H,21,24)
InChIKeyCFRJVUZGMUSBHO-UHFFFAOYSA-N
MW350.34 g/mol
LogP2.13
Rot. Bonds5

About 5-amino-N-[(4-nitrophenyl)methylideneamino]-1-phenylpyrazole-4-carboxamide

5-amino-N-[(4-nitrophenyl)methylideneamino]-1-phenylpyrazole-4-carboxamide (PubChem CID 2813638) has the molecular formula C17H14N6O3 and a molecular weight of 350.34 g/mol. Its IUPAC name is 5-amino-N-[(4-nitrophenyl)methylideneamino]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(4-nitrophenyl)methylideneamino]-1-phenylpyrazole-4-carboxamide
PubChem CID2813638
Molecular FormulaC17H14N6O3
Molecular Weight350.34 g/mol
Exact Mass350.11
IUPAC Name5-amino-N-[(4-nitrophenyl)methylideneamino]-1-phenylpyrazole-4-carboxamide
SMILESNc1c(C(=O)NN=Cc2ccc([N+](=O)[O-])cc2)cnn1-c1ccccc1
InChIInChI=1S/C17H14N6O3/c18-16-15(11-20-22(16)13-4-2-1-3-5-13)17(24)21-19-10-12-6-8-14(9-7-12)23(25)26/h1-11H,18H2,(H,21,24)
InChIKeyCFRJVUZGMUSBHO-UHFFFAOYSA-N
XLogP2.13
TPSA128.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[(Z)-(4-nitrophenyl)methylideneamino]benzamide
CID 5407743
5-amino-N-[(3-methoxyphenyl)methylideneamino]-1-phenylpyrazole-4-carboxamide
CID 2813634
N-[(4-nitrophenyl)methylideneamino]-4,6-diphenylpyrimidine-2-carboxamide
CID 4230749
N,N'-bis[(Z)-(4-nitrophenyl)methylideneamino]oxamide
CID 6163815
2-hydroxy-N-[(E)-(4-nitrophenyl)methylideneamino]-2,2-diphenylacetamide
CID 6881941
2-nitro-N-[(E)-[4-[(E)-[(2-nitrobenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]benzamide
CID 6870006
N-[(Z)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-4-nitrobenzamide
CID 9014963
N-[[4-(1,3-dihydroisoindol-2-yl)phenyl]methylideneamino]-4-nitrobenzamide
CID 5219958
ethyl N-(5-amino-1-phenylpyrazole-4-carbonyl)ethanehydrazonate
CID 2763542
N-[(Z)-(4-nitrophenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 5418856
N-[2-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide
CID 6009175
2-[(4-chlorophenyl)sulfonylamino]-N-[(Z)-(4-nitrophenyl)methylideneamino]benzamide
CID 6009778

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(4-nitrophenyl)methylideneamino]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-[(4-nitrophenyl)methylideneamino]-1-phenylpyrazole-4-carboxamide (CID 2813638) is 5-amino-N-[(4-nitrophenyl)methylideneamino]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-[(4-nitrophenyl)methylideneamino]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-[(4-nitrophenyl)methylideneamino]-1-phenylpyrazole-4-carboxamide is Nc1c(C(=O)NN=Cc2ccc([N+](=O)[O-])cc2)cnn1-c1ccccc1.
What is the InChIKey of 5-amino-N-[(4-nitrophenyl)methylideneamino]-1-phenylpyrazole-4-carboxamide?
The InChIKey is CFRJVUZGMUSBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O3/c18-16-15(11-20-22(16)13-4-2-1-3-5-13)17(24)21-19-10-12-6-8-14(9-7-12)23(25)26/h1-11H,18H2,(H,21,24).
What are the key properties of 5-amino-N-[(4-nitrophenyl)methylideneamino]-1-phenylpyrazole-4-carboxamide?
5-amino-N-[(4-nitrophenyl)methylideneamino]-1-phenylpyrazole-4-carboxamide has a molecular weight of 350.34 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(4-nitrophenyl)methylideneamino]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 2813638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).