N-hydroxy-3-nitro-N'-(5-propan-2-yl-4-pyrazol-1-yl-1H-pyrazol-3-yl)benzenecarboximidamide

C16H17N7O3 — CID 101267193

IUPACN-hydroxy-3-nitro-N'-(5-propan-2-yl-4-pyrazol-1-yl-1H-pyrazol-3-yl)benzenecarboximidamide
SMILESCC(C)c1[nH]nc(/N=C(\NO)c2cccc([N+](=O)[O-])c2)c1-n1cccn1
InChIInChI=1S/C16H17N7O3/c1-10(2)13-14(22-8-4-7-17-22)16(20-19-13)18-15(21-24)11-5-3-6-12(9-11)23(25)26/h3-10,24H,1-2H3,(H2,18,19,20,21)
InChIKeyBVFCBRYFNDLTCD-UHFFFAOYSA-N
MW355.36 g/mol
LogP2.68
Rot. Bonds5

About N-hydroxy-3-nitro-N'-(5-propan-2-yl-4-pyrazol-1-yl-1H-pyrazol-3-yl)benzenecarboximidamide

N-hydroxy-3-nitro-N'-(5-propan-2-yl-4-pyrazol-1-yl-1H-pyrazol-3-yl)benzenecarboximidamide (PubChem CID 101267193) has the molecular formula C16H17N7O3 and a molecular weight of 355.36 g/mol. Its IUPAC name is N-hydroxy-3-nitro-N'-(5-propan-2-yl-4-pyrazol-1-yl-1H-pyrazol-3-yl)benzenecarboximidamide.

Molecular Properties

Compound NameN-hydroxy-3-nitro-N'-(5-propan-2-yl-4-pyrazol-1-yl-1H-pyrazol-3-yl)benzenecarboximidamide
PubChem CID101267193
Molecular FormulaC16H17N7O3
Molecular Weight355.36 g/mol
Exact Mass355.14
IUPAC NameN-hydroxy-3-nitro-N'-(5-propan-2-yl-4-pyrazol-1-yl-1H-pyrazol-3-yl)benzenecarboximidamide
SMILESCC(C)c1[nH]nc(/N=C(\NO)c2cccc([N+](=O)[O-])c2)c1-n1cccn1
InChIInChI=1S/C16H17N7O3/c1-10(2)13-14(22-8-4-7-17-22)16(20-19-13)18-15(21-24)11-5-3-6-12(9-11)23(25)26/h3-10,24H,1-2H3,(H2,18,19,20,21)
InChIKeyBVFCBRYFNDLTCD-UHFFFAOYSA-N
XLogP2.68
TPSA134.26 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-hydroxy-3-nitro-N'-(5-propan-2-yl-4-pyrazol-1-yl-1H-pyrazol-3-yl)benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-hydroxy-N'-(2-methylphenyl)-3-nitrobenzenecarboximidamide
CID 4121047
methyl (1E)-N-hydroxy-3-nitrobenzenecarboximidate
CID 6516814
[2-(3-methylbutylamino)-2-oxoethyl] 3-nitrobenzoate
CID 2622497
(2-methylpropylamino) 3-nitrobenzoate
CID 91037991
ethane;methyl 3-nitrobenzoate
CID 166455377
3-nitro-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122309934
1-(2-methyl-5-nitrophenyl)pyrazole
CID 175295716
[[4-oxo-3,5-di(propan-2-yl)cyclohexa-2,5-dien-1-ylidene]amino] 3-nitrobenzoate
CID 5244985
3-nitro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856378
1-[5-(1-hydroxyethyl)-4-[1-(3-nitrophenyl)ethylideneamino]-1,2,4-triazol-3-yl]ethanol
CID 5100215
N-[2-methylsulfonyl-1-(3-nitrophenyl)propylidene]hydroxylamine
CID 131849888
1-(3-nitrophenyl)-2-pyridin-4-ylpropan-1-one
CID 66469823

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-nitro-N'-(5-propan-2-yl-4-pyrazol-1-yl-1H-pyrazol-3-yl)benzenecarboximidamide?
The IUPAC name of N-hydroxy-3-nitro-N'-(5-propan-2-yl-4-pyrazol-1-yl-1H-pyrazol-3-yl)benzenecarboximidamide (CID 101267193) is N-hydroxy-3-nitro-N'-(5-propan-2-yl-4-pyrazol-1-yl-1H-pyrazol-3-yl)benzenecarboximidamide.
What is the SMILES notation for N-hydroxy-3-nitro-N'-(5-propan-2-yl-4-pyrazol-1-yl-1H-pyrazol-3-yl)benzenecarboximidamide?
The canonical SMILES for N-hydroxy-3-nitro-N'-(5-propan-2-yl-4-pyrazol-1-yl-1H-pyrazol-3-yl)benzenecarboximidamide is CC(C)c1[nH]nc(/N=C(\NO)c2cccc([N+](=O)[O-])c2)c1-n1cccn1.
What is the InChIKey of N-hydroxy-3-nitro-N'-(5-propan-2-yl-4-pyrazol-1-yl-1H-pyrazol-3-yl)benzenecarboximidamide?
The InChIKey is BVFCBRYFNDLTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7O3/c1-10(2)13-14(22-8-4-7-17-22)16(20-19-13)18-15(21-24)11-5-3-6-12(9-11)23(25)26/h3-10,24H,1-2H3,(H2,18,19,20,21).
What are the key properties of N-hydroxy-3-nitro-N'-(5-propan-2-yl-4-pyrazol-1-yl-1H-pyrazol-3-yl)benzenecarboximidamide?
N-hydroxy-3-nitro-N'-(5-propan-2-yl-4-pyrazol-1-yl-1H-pyrazol-3-yl)benzenecarboximidamide has a molecular weight of 355.36 g/mol, XLogP of 2.68, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-nitro-N'-(5-propan-2-yl-4-pyrazol-1-yl-1H-pyrazol-3-yl)benzenecarboximidamide is sourced from PubChem (CID 101267193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).