4-chloro-3-nitro-N-(1H-pyrazol-4-yl)benzamide

C10H7ClN4O3 — CID 43540234

IUPAC4-chloro-3-nitro-N-(1H-pyrazol-4-yl)benzamide
SMILESO=C(Nc1cn[nH]c1)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C10H7ClN4O3/c11-8-2-1-6(3-9(8)15(17)18)10(16)14-7-4-12-13-5-7/h1-5H,(H,12,13)(H,14,16)
InChIKeyBDMZFCVHDQVGSP-UHFFFAOYSA-N
MW266.64 g/mol
LogP2.22
Rot. Bonds3

About 4-chloro-3-nitro-N-(1H-pyrazol-4-yl)benzamide

4-chloro-3-nitro-N-(1H-pyrazol-4-yl)benzamide (PubChem CID 43540234) has the molecular formula C10H7ClN4O3 and a molecular weight of 266.64 g/mol. Its IUPAC name is 4-chloro-3-nitro-N-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound Name4-chloro-3-nitro-N-(1H-pyrazol-4-yl)benzamide
PubChem CID43540234
Molecular FormulaC10H7ClN4O3
Molecular Weight266.64 g/mol
Exact Mass266.02
IUPAC Name4-chloro-3-nitro-N-(1H-pyrazol-4-yl)benzamide
SMILESO=C(Nc1cn[nH]c1)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C10H7ClN4O3/c11-8-2-1-6(3-9(8)15(17)18)10(16)14-7-4-12-13-5-7/h1-5H,(H,12,13)(H,14,16)
InChIKeyBDMZFCVHDQVGSP-UHFFFAOYSA-N
XLogP2.22
TPSA100.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.64
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

1-(4-chloro-3-nitrophenyl)-3-(1H-pyrazol-4-yl)urea
CID 60577073
4-chloro-N-[4-[(4-chloro-3-nitrobenzoyl)amino]phenyl]-3-nitrobenzamide
CID 3385281
3-methoxy-4-nitro-N-(1H-pyrazol-4-yl)benzamide
CID 115602226
3-amino-4-chloro-N-(1H-pyrazol-4-yl)benzamide
CID 43539715
3-chloro-N-(1H-pyrazol-4-yl)benzamide
CID 43429419
4-chloro-N-[4-[[4-[(4-chloro-3-nitrobenzoyl)amino]phenyl]methyl]phenyl]-3-nitrobenzamide
CID 3385354
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-4-chloro-3-nitrobenzamide
CID 17111352
4-chloro-3-nitro-N-pyrimidin-2-ylbenzamide
CID 3113449
4-chloro-N-[4-(dimethylamino)phenyl]-3-nitrobenzamide
CID 874387
4-chloro-3-nitro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 956247
4-chloro-N-[4-(4-methylphenoxy)phenyl]-3-nitrobenzamide
CID 2119680
5-fluoro-2-nitro-N-(1H-pyrazol-4-yl)benzamide
CID 60877332

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-nitro-N-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of 4-chloro-3-nitro-N-(1H-pyrazol-4-yl)benzamide (CID 43540234) is 4-chloro-3-nitro-N-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for 4-chloro-3-nitro-N-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for 4-chloro-3-nitro-N-(1H-pyrazol-4-yl)benzamide is O=C(Nc1cn[nH]c1)c1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 4-chloro-3-nitro-N-(1H-pyrazol-4-yl)benzamide?
The InChIKey is BDMZFCVHDQVGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN4O3/c11-8-2-1-6(3-9(8)15(17)18)10(16)14-7-4-12-13-5-7/h1-5H,(H,12,13)(H,14,16).
What are the key properties of 4-chloro-3-nitro-N-(1H-pyrazol-4-yl)benzamide?
4-chloro-3-nitro-N-(1H-pyrazol-4-yl)benzamide has a molecular weight of 266.64 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-nitro-N-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 43540234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).