N-[1-(methoxymethyl)pyrazol-4-yl]-4-nitrobenzamide

C12H12N4O4 — CID 19411100

IUPACN-[1-(methoxymethyl)pyrazol-4-yl]-4-nitrobenzamide
SMILESCOCn1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)cn1
InChIInChI=1S/C12H12N4O4/c1-20-8-15-7-10(6-13-15)14-12(17)9-2-4-11(5-3-9)16(18)19/h2-7H,8H2,1H3,(H,14,17)
InChIKeyGVYUSINPDPLTHQ-UHFFFAOYSA-N
MW276.25 g/mol
LogP1.65
Rot. Bonds5

About N-[1-(methoxymethyl)pyrazol-4-yl]-4-nitrobenzamide

N-[1-(methoxymethyl)pyrazol-4-yl]-4-nitrobenzamide (PubChem CID 19411100) has the molecular formula C12H12N4O4 and a molecular weight of 276.25 g/mol. Its IUPAC name is N-[1-(methoxymethyl)pyrazol-4-yl]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[1-(methoxymethyl)pyrazol-4-yl]-4-nitrobenzamide
PubChem CID19411100
Molecular FormulaC12H12N4O4
Molecular Weight276.25 g/mol
Exact Mass276.09
IUPAC NameN-[1-(methoxymethyl)pyrazol-4-yl]-4-nitrobenzamide
SMILESCOCn1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)cn1
InChIInChI=1S/C12H12N4O4/c1-20-8-15-7-10(6-13-15)14-12(17)9-2-4-11(5-3-9)16(18)19/h2-7H,8H2,1H3,(H,14,17)
InChIKeyGVYUSINPDPLTHQ-UHFFFAOYSA-N
XLogP1.65
TPSA99.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 51.65
H-Bond Donors ≤ 51
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 N-[1-(methoxymethyl)pyrazol-4-yl]-4-nitrobenzamide 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

4-chloro-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide
CID 19411114
N-[1-(ethoxymethyl)pyrazol-4-yl]-3,5-dinitrobenzamide
CID 19340493
tert-butyl N-[4-[[1-(methoxymethyl)pyrazol-4-yl]carbamoyl]phenyl]carbamate
CID 126827802
N-(3-methoxypropyl)-4-[(4-nitrobenzoyl)amino]benzamide
CID 17204997
4-nitro-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzamide
CID 121145194
3-fluoro-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide
CID 19410971
3,5-dinitro-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]benzamide
CID 19340710
3-[4-[[1-(methoxymethyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19471366
4-chloro-N-[1-(ethoxymethyl)pyrazol-4-yl]-3-nitrobenzamide
CID 19340667
N-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrazol-4-yl]-4-nitrobenzamide
CID 90622579
N-[1-(methoxymethyl)pyrazol-4-yl]propanamide
CID 19411093
2-iodo-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide
CID 19410901

Frequently Asked Questions

What is the IUPAC name of N-[1-(methoxymethyl)pyrazol-4-yl]-4-nitrobenzamide?
The IUPAC name of N-[1-(methoxymethyl)pyrazol-4-yl]-4-nitrobenzamide (CID 19411100) is N-[1-(methoxymethyl)pyrazol-4-yl]-4-nitrobenzamide.
What is the SMILES notation for N-[1-(methoxymethyl)pyrazol-4-yl]-4-nitrobenzamide?
The canonical SMILES for N-[1-(methoxymethyl)pyrazol-4-yl]-4-nitrobenzamide is COCn1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)cn1.
What is the InChIKey of N-[1-(methoxymethyl)pyrazol-4-yl]-4-nitrobenzamide?
The InChIKey is GVYUSINPDPLTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O4/c1-20-8-15-7-10(6-13-15)14-12(17)9-2-4-11(5-3-9)16(18)19/h2-7H,8H2,1H3,(H,14,17).
What are the key properties of N-[1-(methoxymethyl)pyrazol-4-yl]-4-nitrobenzamide?
N-[1-(methoxymethyl)pyrazol-4-yl]-4-nitrobenzamide has a molecular weight of 276.25 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(methoxymethyl)pyrazol-4-yl]-4-nitrobenzamide is sourced from PubChem (CID 19411100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).