5-nitro-N-[1-(1-phenylpyrazol-4-yl)pyrazol-4-yl]-1H-pyrazole-3-carboxamide

C16H12N8O3 — CID 135689125

IUPAC5-nitro-N-[1-(1-phenylpyrazol-4-yl)pyrazol-4-yl]-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1cnn(-c2cnn(-c3ccccc3)c2)c1)c1cc([N+](=O)[O-])[nH]n1
InChIInChI=1S/C16H12N8O3/c25-16(14-6-15(21-20-14)24(26)27)19-11-7-17-22(9-11)13-8-18-23(10-13)12-4-2-1-3-5-12/h1-10H,(H,19,25)(H,20,21)
InChIKeyYAXSYZSSZBWEIH-UHFFFAOYSA-N
MW364.33 g/mol
LogP1.94
Rot. Bonds5

About 5-nitro-N-[1-(1-phenylpyrazol-4-yl)pyrazol-4-yl]-1H-pyrazole-3-carboxamide

5-nitro-N-[1-(1-phenylpyrazol-4-yl)pyrazol-4-yl]-1H-pyrazole-3-carboxamide (PubChem CID 135689125) has the molecular formula C16H12N8O3 and a molecular weight of 364.33 g/mol. Its IUPAC name is 5-nitro-N-[1-(1-phenylpyrazol-4-yl)pyrazol-4-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-nitro-N-[1-(1-phenylpyrazol-4-yl)pyrazol-4-yl]-1H-pyrazole-3-carboxamide
PubChem CID135689125
Molecular FormulaC16H12N8O3
Molecular Weight364.33 g/mol
Exact Mass364.10
IUPAC Name5-nitro-N-[1-(1-phenylpyrazol-4-yl)pyrazol-4-yl]-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1cnn(-c2cnn(-c3ccccc3)c2)c1)c1cc([N+](=O)[O-])[nH]n1
InChIInChI=1S/C16H12N8O3/c25-16(14-6-15(21-20-14)24(26)27)19-11-7-17-22(9-11)13-8-18-23(10-13)12-4-2-1-3-5-12/h1-10H,(H,19,25)(H,20,21)
InChIKeyYAXSYZSSZBWEIH-UHFFFAOYSA-N
XLogP1.94
TPSA136.56 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.33
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-(1-benzylpyrazol-4-yl)-5-nitro-1H-pyrazole-3-carboxamide
CID 135706854
4-chloro-N-(1-phenylpyrazol-4-yl)-1H-pyrrole-2-carboxamide
CID 86848828
2,6-difluoro-N-[1-(1-phenylpyrazol-4-yl)pyrazol-4-yl]benzamide
CID 17088872
1-phenyl-N-(1-phenylpyrazol-4-yl)pyrazole-4-carboxamide
CID 171981866
5-bromo-N-(1-phenylpyrazol-4-yl)pyridine-2-carboxamide
CID 99816223
6-methyl-N-(1-phenylpyrazol-4-yl)pyridine-2-carboxamide
CID 110472220
N-(1-phenylpyrazol-4-yl)quinoxaline-2-carboxamide
CID 71884776
N-(1-phenylpyrazol-4-yl)-1H-pyrrole-2-carboxamide
CID 110470884
N-[1-(3-chlorophenyl)pyrazol-4-yl]benzamide
CID 67287365
methyl 4-[(5-nitro-1H-pyrazole-3-carbonyl)amino]benzoate
CID 135408117
N-(1-benzylpyrazol-3-yl)-5-nitro-1H-pyrazole-3-carboxamide
CID 135770931
5-nitro-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxamide
CID 135413583

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-[1-(1-phenylpyrazol-4-yl)pyrazol-4-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-nitro-N-[1-(1-phenylpyrazol-4-yl)pyrazol-4-yl]-1H-pyrazole-3-carboxamide (CID 135689125) is 5-nitro-N-[1-(1-phenylpyrazol-4-yl)pyrazol-4-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-nitro-N-[1-(1-phenylpyrazol-4-yl)pyrazol-4-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-nitro-N-[1-(1-phenylpyrazol-4-yl)pyrazol-4-yl]-1H-pyrazole-3-carboxamide is O=C(Nc1cnn(-c2cnn(-c3ccccc3)c2)c1)c1cc([N+](=O)[O-])[nH]n1.
What is the InChIKey of 5-nitro-N-[1-(1-phenylpyrazol-4-yl)pyrazol-4-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is YAXSYZSSZBWEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N8O3/c25-16(14-6-15(21-20-14)24(26)27)19-11-7-17-22(9-11)13-8-18-23(10-13)12-4-2-1-3-5-12/h1-10H,(H,19,25)(H,20,21).
What are the key properties of 5-nitro-N-[1-(1-phenylpyrazol-4-yl)pyrazol-4-yl]-1H-pyrazole-3-carboxamide?
5-nitro-N-[1-(1-phenylpyrazol-4-yl)pyrazol-4-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 364.33 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-[1-(1-phenylpyrazol-4-yl)pyrazol-4-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 135689125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).