N-(4-chloro-2-nitrophenyl)-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide

C11H8ClN5O6 — CID 19510945

IUPACN-(4-chloro-2-nitrophenyl)-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide
SMILESCOc1n[nH]c(C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c1[N+](=O)[O-]
InChIInChI=1S/C11H8ClN5O6/c1-23-11-9(17(21)22)8(14-15-11)10(18)13-6-3-2-5(12)4-7(6)16(19)20/h2-4H,1H3,(H,13,18)(H,14,15)
InChIKeyOIDBUOHPYDHTJB-UHFFFAOYSA-N
MW341.67 g/mol
LogP2.14
Rot. Bonds5

About N-(4-chloro-2-nitrophenyl)-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide

N-(4-chloro-2-nitrophenyl)-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide (PubChem CID 19510945) has the molecular formula C11H8ClN5O6 and a molecular weight of 341.67 g/mol. Its IUPAC name is N-(4-chloro-2-nitrophenyl)-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-nitrophenyl)-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide
PubChem CID19510945
Molecular FormulaC11H8ClN5O6
Molecular Weight341.67 g/mol
Exact Mass341.02
IUPAC NameN-(4-chloro-2-nitrophenyl)-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide
SMILESCOc1n[nH]c(C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c1[N+](=O)[O-]
InChIInChI=1S/C11H8ClN5O6/c1-23-11-9(17(21)22)8(14-15-11)10(18)13-6-3-2-5(12)4-7(6)16(19)20/h2-4H,1H3,(H,13,18)(H,14,15)
InChIKeyOIDBUOHPYDHTJB-UHFFFAOYSA-N
XLogP2.14
TPSA153.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.67
LogP ≤ 52.14
H-Bond Donors ≤ 52
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-(2-hydroxyphenyl)-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide
CID 19510884
3-methoxy-N-(3-methoxyphenyl)-4-nitro-1H-pyrazole-5-carboxamide
CID 19510934
4,5-dibromo-N-(4-chloro-2-nitrophenyl)-1H-pyrazole-3-carboxamide
CID 19508447
N-(4-chloro-2-nitrophenyl)-3-methoxythiophene-2-carboxamide
CID 4594147
N-(4-chloro-2-nitrophenyl)-5-methyl-2-nitrobenzamide
CID 134120931
N-(4-chloro-2-nitrophenyl)-1-methyl-4-nitropyrazole-5-carboxamide
CID 19478348
N-(4-chloro-2-nitrophenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 19481247
N-(4-chloro-2-nitrophenyl)-3-methoxynaphthalene-2-carboxamide
CID 2833332
4-chloro-N-(4-chloro-2-nitrophenyl)pyridine-2-carboxamide
CID 60705527
N-(4-chloro-2-nitrophenyl)-2-methoxy-2-methylpropanamide
CID 103028854
N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide
CID 19511180
methyl N-[(4-chloro-2-nitrophenyl)carbamothioyl]carbamate
CID 163863319

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-nitrophenyl)-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(4-chloro-2-nitrophenyl)-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide (CID 19510945) is N-(4-chloro-2-nitrophenyl)-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(4-chloro-2-nitrophenyl)-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(4-chloro-2-nitrophenyl)-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide is COc1n[nH]c(C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c1[N+](=O)[O-].
What is the InChIKey of N-(4-chloro-2-nitrophenyl)-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide?
The InChIKey is OIDBUOHPYDHTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN5O6/c1-23-11-9(17(21)22)8(14-15-11)10(18)13-6-3-2-5(12)4-7(6)16(19)20/h2-4H,1H3,(H,13,18)(H,14,15).
What are the key properties of N-(4-chloro-2-nitrophenyl)-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide?
N-(4-chloro-2-nitrophenyl)-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide has a molecular weight of 341.67 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-nitrophenyl)-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19510945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).