5-amino-1-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]pyrazole-4-carboxamide

C16H14N6O — CID 6877166

IUPAC5-amino-1-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]pyrazole-4-carboxamide
SMILESNc1c(C(=O)N/N=C/c2cccnc2)cnn1-c1ccccc1
InChIInChI=1S/C16H14N6O/c17-15-14(11-20-22(15)13-6-2-1-3-7-13)16(23)21-19-10-12-5-4-8-18-9-12/h1-11H,17H2,(H,21,23)/b19-10+
InChIKeyQHEYAQWZBQAQFY-VXLYETTFSA-N
MW306.33 g/mol
LogP1.61
Rot. Bonds4

About 5-amino-1-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]pyrazole-4-carboxamide

5-amino-1-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]pyrazole-4-carboxamide (PubChem CID 6877166) has the molecular formula C16H14N6O and a molecular weight of 306.33 g/mol. Its IUPAC name is 5-amino-1-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]pyrazole-4-carboxamide
PubChem CID6877166
Molecular FormulaC16H14N6O
Molecular Weight306.33 g/mol
Exact Mass306.12
IUPAC Name5-amino-1-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]pyrazole-4-carboxamide
SMILESNc1c(C(=O)N/N=C/c2cccnc2)cnn1-c1ccccc1
InChIInChI=1S/C16H14N6O/c17-15-14(11-20-22(15)13-6-2-1-3-7-13)16(23)21-19-10-12-5-4-8-18-9-12/h1-11H,17H2,(H,21,23)/b19-10+
InChIKeyQHEYAQWZBQAQFY-VXLYETTFSA-N
XLogP1.61
TPSA98.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

1H-Pyrazolo(3,4-d)pyrimidin-4-one, 4,5-dihydro-5-benzyl-1-phenyl-
CID 714182
5-Amino-1-phenyl-4-pyrazolecarboxamide
CID 1802
1,5-dihydro-1-phenyl-4H-pyrazolo(3,4-d)pyrimidin-4-one
CID 135408735
5-Amino-1-(4-fluorophenyl)-4-[3-(pyridin-3-yl)benzoyl]pyrazole
CID 9950664
1-(4-fluorophenyl)-4-{[4-(pyridin-3-yl)phenyl]carbonyl}-1H-pyrazol-5-amine
CID 11602903
6-methyl-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135401776
7-phenyl-3H,4H,7H-pyrazolo[3,4-d][1,2,3]triazin-4-one
CID 135423160
1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbohydrazide
CID 2767863
N-(2,4-difluorophenyl)-6-(1H-pyrazol-1-yl)nicotinamide
CID 3567091
5-amino-1-phenyl-N'-(phenylmethylene)-1H-pyrazole-4-carbohydrazide
CID 9583770
5-amino-N'-[(4-nitrophenyl)methylene]-1-phenyl-1H-pyrazole-4-carbohydrazide
CID 9583775
[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]urea
CID 9626980

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]pyrazole-4-carboxamide (CID 6877166) is 5-amino-1-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]pyrazole-4-carboxamide is Nc1c(C(=O)N/N=C/c2cccnc2)cnn1-c1ccccc1.
What is the InChIKey of 5-amino-1-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]pyrazole-4-carboxamide?
The InChIKey is QHEYAQWZBQAQFY-VXLYETTFSA-N. The full InChI is InChI=1S/C16H14N6O/c17-15-14(11-20-22(15)13-6-2-1-3-7-13)16(23)21-19-10-12-5-4-8-18-9-12/h1-11H,17H2,(H,21,23)/b19-10+.
What are the key properties of 5-amino-1-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]pyrazole-4-carboxamide?
5-amino-1-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]pyrazole-4-carboxamide has a molecular weight of 306.33 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]pyrazole-4-carboxamide is sourced from PubChem (CID 6877166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).