N-(5-methyl-2-phenylpyrazol-3-yl)-3,5-dinitrobenzamide

C17H13N5O5 — CID 2337502

IUPACN-(5-methyl-2-phenylpyrazol-3-yl)-3,5-dinitrobenzamide
SMILESCc1cc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n(-c2ccccc2)n1
InChIInChI=1S/C17H13N5O5/c1-11-7-16(20(19-11)13-5-3-2-4-6-13)18-17(23)12-8-14(21(24)25)10-15(9-12)22(26)27/h2-10H,1H3,(H,18,23)
InChIKeyNDRVVEWGIDWCEB-UHFFFAOYSA-N
MW367.32 g/mol
LogP3.25
Rot. Bonds5

About N-(5-methyl-2-phenylpyrazol-3-yl)-3,5-dinitrobenzamide

N-(5-methyl-2-phenylpyrazol-3-yl)-3,5-dinitrobenzamide (PubChem CID 2337502) has the molecular formula C17H13N5O5 and a molecular weight of 367.32 g/mol. Its IUPAC name is N-(5-methyl-2-phenylpyrazol-3-yl)-3,5-dinitrobenzamide.

Molecular Properties

Compound NameN-(5-methyl-2-phenylpyrazol-3-yl)-3,5-dinitrobenzamide
PubChem CID2337502
Molecular FormulaC17H13N5O5
Molecular Weight367.32 g/mol
Exact Mass367.09
IUPAC NameN-(5-methyl-2-phenylpyrazol-3-yl)-3,5-dinitrobenzamide
SMILESCc1cc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n(-c2ccccc2)n1
InChIInChI=1S/C17H13N5O5/c1-11-7-16(20(19-11)13-5-3-2-4-6-13)18-17(23)12-8-14(21(24)25)10-15(9-12)22(26)27/h2-10H,1H3,(H,18,23)
InChIKeyNDRVVEWGIDWCEB-UHFFFAOYSA-N
XLogP3.25
TPSA133.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.32
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-(1,3-diphenyl-1H-pyrazolo-5-yl)-4-nitrobenzamide
CID 11610682
N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide
CID 4156919
N-(1-methyl-3-phenylpyrazol-5-yl)benzamide
CID 2814962
VU-1545
CID 11625520
N-[1-(3-fluorophenyl)-3-methyl-1H-pyrazol-5-yl]-2-methylbenzamide
CID 1508258
n-(1,3-Diphenyl-1h-pyrazol-5-yl)-4-fluorobenzamide
CID 11164167
3-nitro-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide
CID 11625160
N-(2,5-Diphenyl-2H-pyrazol-3-yl)-3-fluoro-benzamide
CID 11451163
N-(1,3-diphenyl-1H-pyrazol-5-yl)-4-methylbenzamide
CID 11462332
N-(1,3-diphenyl-1H-pyrazol-5-yl)-3,4-difluorobenzamide
CID 11222596
N-(1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)-3-methylbenzamide
CID 135753056
N-(1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)-4-methylbenzamide
CID 135753057

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-phenylpyrazol-3-yl)-3,5-dinitrobenzamide?
The IUPAC name of N-(5-methyl-2-phenylpyrazol-3-yl)-3,5-dinitrobenzamide (CID 2337502) is N-(5-methyl-2-phenylpyrazol-3-yl)-3,5-dinitrobenzamide.
What is the SMILES notation for N-(5-methyl-2-phenylpyrazol-3-yl)-3,5-dinitrobenzamide?
The canonical SMILES for N-(5-methyl-2-phenylpyrazol-3-yl)-3,5-dinitrobenzamide is Cc1cc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n(-c2ccccc2)n1.
What is the InChIKey of N-(5-methyl-2-phenylpyrazol-3-yl)-3,5-dinitrobenzamide?
The InChIKey is NDRVVEWGIDWCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O5/c1-11-7-16(20(19-11)13-5-3-2-4-6-13)18-17(23)12-8-14(21(24)25)10-15(9-12)22(26)27/h2-10H,1H3,(H,18,23).
What are the key properties of N-(5-methyl-2-phenylpyrazol-3-yl)-3,5-dinitrobenzamide?
N-(5-methyl-2-phenylpyrazol-3-yl)-3,5-dinitrobenzamide has a molecular weight of 367.32 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-phenylpyrazol-3-yl)-3,5-dinitrobenzamide is sourced from PubChem (CID 2337502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).