N-[(4-ethoxy-2-nitrophenyl)carbamothioyl]-2-methylpyrazole-3-carboxamide

C14H15N5O4S — CID 23740238

IUPACN-[(4-ethoxy-2-nitrophenyl)carbamothioyl]-2-methylpyrazole-3-carboxamide
SMILESCCOc1ccc(NC(=S)NC(=O)c2ccnn2C)c([N+](=O)[O-])c1
InChIInChI=1S/C14H15N5O4S/c1-3-23-9-4-5-10(12(8-9)19(21)22)16-14(24)17-13(20)11-6-7-15-18(11)2/h4-8H,3H2,1-2H3,(H2,16,17,20,24)
InChIKeyAJWGONYPOLFDDL-UHFFFAOYSA-N
MW349.37 g/mol
LogP1.85
Rot. Bonds5

About N-[(4-ethoxy-2-nitrophenyl)carbamothioyl]-2-methylpyrazole-3-carboxamide

N-[(4-ethoxy-2-nitrophenyl)carbamothioyl]-2-methylpyrazole-3-carboxamide (PubChem CID 23740238) has the molecular formula C14H15N5O4S and a molecular weight of 349.37 g/mol. Its IUPAC name is N-[(4-ethoxy-2-nitrophenyl)carbamothioyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-ethoxy-2-nitrophenyl)carbamothioyl]-2-methylpyrazole-3-carboxamide
PubChem CID23740238
Molecular FormulaC14H15N5O4S
Molecular Weight349.37 g/mol
Exact Mass349.08
IUPAC NameN-[(4-ethoxy-2-nitrophenyl)carbamothioyl]-2-methylpyrazole-3-carboxamide
SMILESCCOc1ccc(NC(=S)NC(=O)c2ccnn2C)c([N+](=O)[O-])c1
InChIInChI=1S/C14H15N5O4S/c1-3-23-9-4-5-10(12(8-9)19(21)22)16-14(24)17-13(20)11-6-7-15-18(11)2/h4-8H,3H2,1-2H3,(H2,16,17,20,24)
InChIKeyAJWGONYPOLFDDL-UHFFFAOYSA-N
XLogP1.85
TPSA111.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 51.85
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'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze N-[(4-ethoxy-2-nitrophenyl)carbamothioyl]-2-methylpyrazole-3-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-(4-ethoxy-2-nitrophenyl)-4-iodo-1-methylpyrazole-5-carboxamide
CID 19476108
2-[(4-chlorophenoxy)methyl]-N-(4-ethoxy-2-nitrophenyl)pyrazole-3-carboxamide
CID 19507397
4-bromo-N-(4-ethoxy-2-nitrophenyl)-1-methylpyrazole-5-carboxamide
CID 19475048
1-(3,5-dimethoxyphenyl)-3-(4-ethoxy-2-nitrophenyl)thiourea
CID 17299742
N-[(4-ethoxy-2-nitrophenyl)carbamothioyl]-2-phenylquinoline-4-carboxamide
CID 3680478
3-(4-bromophenyl)-N-[(4-ethoxy-2-nitrophenyl)carbamothioyl]prop-2-enamide
CID 3291955
ethyl N-(4-ethoxy-2-nitrophenyl)carbamate
CID 4110254
2-N,6-N-bis(4-ethoxy-2-nitrophenyl)pyridine-2,6-dicarboxamide
CID 4079901
3,4,5-triethoxy-N-(4-ethoxy-2-nitrophenyl)benzamide
CID 2862752
5-bromo-2-ethoxy-N-[(4-methoxy-2-nitrophenyl)carbamothioyl]benzamide
CID 17353287
N-(4-ethoxy-2-nitrophenyl)pentanamide
CID 4295410
N-(4-ethoxy-2-nitrophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 23770323

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxy-2-nitrophenyl)carbamothioyl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[(4-ethoxy-2-nitrophenyl)carbamothioyl]-2-methylpyrazole-3-carboxamide (CID 23740238) is N-[(4-ethoxy-2-nitrophenyl)carbamothioyl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(4-ethoxy-2-nitrophenyl)carbamothioyl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[(4-ethoxy-2-nitrophenyl)carbamothioyl]-2-methylpyrazole-3-carboxamide is CCOc1ccc(NC(=S)NC(=O)c2ccnn2C)c([N+](=O)[O-])c1.
What is the InChIKey of N-[(4-ethoxy-2-nitrophenyl)carbamothioyl]-2-methylpyrazole-3-carboxamide?
The InChIKey is AJWGONYPOLFDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O4S/c1-3-23-9-4-5-10(12(8-9)19(21)22)16-14(24)17-13(20)11-6-7-15-18(11)2/h4-8H,3H2,1-2H3,(H2,16,17,20,24).
What are the key properties of N-[(4-ethoxy-2-nitrophenyl)carbamothioyl]-2-methylpyrazole-3-carboxamide?
N-[(4-ethoxy-2-nitrophenyl)carbamothioyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 349.37 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxy-2-nitrophenyl)carbamothioyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 23740238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).