3-methoxy-N-(3-methoxyphenyl)-4-nitro-1H-pyrazole-5-carboxamide

C12H12N4O5 — CID 19510934

IUPAC3-methoxy-N-(3-methoxyphenyl)-4-nitro-1H-pyrazole-5-carboxamide
SMILESCOc1cccc(NC(=O)c2[nH]nc(OC)c2[N+](=O)[O-])c1
InChIInChI=1S/C12H12N4O5/c1-20-8-5-3-4-7(6-8)13-11(17)9-10(16(18)19)12(21-2)15-14-9/h3-6H,1-2H3,(H,13,17)(H,14,15)
InChIKeyQTXVYILPUNKWJR-UHFFFAOYSA-N
MW292.25 g/mol
LogP1.59
Rot. Bonds5

About 3-methoxy-N-(3-methoxyphenyl)-4-nitro-1H-pyrazole-5-carboxamide

3-methoxy-N-(3-methoxyphenyl)-4-nitro-1H-pyrazole-5-carboxamide (PubChem CID 19510934) has the molecular formula C12H12N4O5 and a molecular weight of 292.25 g/mol. Its IUPAC name is 3-methoxy-N-(3-methoxyphenyl)-4-nitro-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-(3-methoxyphenyl)-4-nitro-1H-pyrazole-5-carboxamide
PubChem CID19510934
Molecular FormulaC12H12N4O5
Molecular Weight292.25 g/mol
Exact Mass292.08
IUPAC Name3-methoxy-N-(3-methoxyphenyl)-4-nitro-1H-pyrazole-5-carboxamide
SMILESCOc1cccc(NC(=O)c2[nH]nc(OC)c2[N+](=O)[O-])c1
InChIInChI=1S/C12H12N4O5/c1-20-8-5-3-4-7(6-8)13-11(17)9-10(16(18)19)12(21-2)15-14-9/h3-6H,1-2H3,(H,13,17)(H,14,15)
InChIKeyQTXVYILPUNKWJR-UHFFFAOYSA-N
XLogP1.59
TPSA119.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.25
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-methoxy-N-(3-methoxyphenyl)-4-nitro-1H-pyrazole-5-carboxamide 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-(2-hydroxyphenyl)-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide
CID 19510884
N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide
CID 19511020
N-[3-(2,4-dichlorophenoxy)-5-nitrophenyl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide
CID 19511015
3-methoxy-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-4-nitro-1H-pyrazole-5-carboxamide
CID 19511058
N-(4-chloro-2-nitrophenyl)-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide
CID 19510945
7-methoxy-N-(3-nitrophenyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 46343914
methyl 3-[(3-methoxyphenyl)carbamoyl]-5-nitrobenzoate
CID 743798
4,5-dibromo-N-(3-methoxyphenyl)-1H-pyrazole-3-carboxamide
CID 19508436
3-methoxy-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-4-nitro-1H-pyrazole-5-carboxamide
CID 19511174
N-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxamide
CID 110683979
5-(furan-2-yl)-N-(3-methoxyphenyl)-1H-pyrazole-3-carboxamide
CID 19513850
N-(3-methoxyphenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 112513876

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(3-methoxyphenyl)-4-nitro-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-methoxy-N-(3-methoxyphenyl)-4-nitro-1H-pyrazole-5-carboxamide (CID 19510934) is 3-methoxy-N-(3-methoxyphenyl)-4-nitro-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-methoxy-N-(3-methoxyphenyl)-4-nitro-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-methoxy-N-(3-methoxyphenyl)-4-nitro-1H-pyrazole-5-carboxamide is COc1cccc(NC(=O)c2[nH]nc(OC)c2[N+](=O)[O-])c1.
What is the InChIKey of 3-methoxy-N-(3-methoxyphenyl)-4-nitro-1H-pyrazole-5-carboxamide?
The InChIKey is QTXVYILPUNKWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O5/c1-20-8-5-3-4-7(6-8)13-11(17)9-10(16(18)19)12(21-2)15-14-9/h3-6H,1-2H3,(H,13,17)(H,14,15).
What are the key properties of 3-methoxy-N-(3-methoxyphenyl)-4-nitro-1H-pyrazole-5-carboxamide?
3-methoxy-N-(3-methoxyphenyl)-4-nitro-1H-pyrazole-5-carboxamide has a molecular weight of 292.25 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(3-methoxyphenyl)-4-nitro-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19510934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).