N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-(3-nitrophenyl)pyrazole-3-carboxamide

C20H14FN5O3S — CID 38485431

IUPACN-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-(3-nitrophenyl)pyrazole-3-carboxamide
SMILESCc1sc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)nc1-c1ccc(F)cc1
InChIInChI=1S/C20H14FN5O3S/c1-12-18(13-5-7-14(21)8-6-13)22-20(30-12)23-19(27)17-9-10-25(24-17)15-3-2-4-16(11-15)26(28)29/h2-11H,1H3,(H,22,23,27)
InChIKeySNFIBUPVCOZFAN-UHFFFAOYSA-N
MW423.43 g/mol
LogP4.60
Rot. Bonds5

About N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-(3-nitrophenyl)pyrazole-3-carboxamide

N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-(3-nitrophenyl)pyrazole-3-carboxamide (PubChem CID 38485431) has the molecular formula C20H14FN5O3S and a molecular weight of 423.43 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-(3-nitrophenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-(3-nitrophenyl)pyrazole-3-carboxamide
PubChem CID38485431
Molecular FormulaC20H14FN5O3S
Molecular Weight423.43 g/mol
Exact Mass423.08
IUPAC NameN-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-(3-nitrophenyl)pyrazole-3-carboxamide
SMILESCc1sc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)nc1-c1ccc(F)cc1
InChIInChI=1S/C20H14FN5O3S/c1-12-18(13-5-7-14(21)8-6-13)22-20(30-12)23-19(27)17-9-10-25(24-17)15-3-2-4-16(11-15)26(28)29/h2-11H,1H3,(H,22,23,27)
InChIKeySNFIBUPVCOZFAN-UHFFFAOYSA-N
XLogP4.60
TPSA102.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.43
LogP ≤ 54.60
H-Bond Donors ≤ 51
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'}

Analyze N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-(3-nitrophenyl)pyrazole-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-(3-fluoro-4-methylphenyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide
CID 38417021
N-(2-methoxyphenyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide
CID 38484159
1-(4-fluorophenyl)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-6-oxopyridazine-3-carboxamide
CID 55630366
N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-1-(3-nitrophenyl)pyrazole-3-carboxamide
CID 55668470
N-[4-(4-fluorophenyl)-5-(4-nitrophenyl)-1,3-thiazol-2-yl]-3-nitrobenzamide
CID 126058063
1-(3-nitrophenyl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrazole-3-carboxamide
CID 90448775
N-(3-ethynylphenyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide
CID 38482435
N-[2-methyl-5-(propanoylamino)phenyl]-1-(3-nitrophenyl)pyrazole-3-carboxamide
CID 46467564
3-methyl-2-[[1-(3-nitrophenyl)pyrazole-3-carbonyl]amino]butanoic acid
CID 119170073
4-fluoro-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 880470
1-(3-nitrophenyl)-N-(4-piperidin-1-ylphenyl)pyrazole-3-carboxamide
CID 46437483
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 26291645

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-(3-nitrophenyl)pyrazole-3-carboxamide?
The IUPAC name of N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-(3-nitrophenyl)pyrazole-3-carboxamide (CID 38485431) is N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-(3-nitrophenyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-(3-nitrophenyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-(3-nitrophenyl)pyrazole-3-carboxamide is Cc1sc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)nc1-c1ccc(F)cc1.
What is the InChIKey of N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-(3-nitrophenyl)pyrazole-3-carboxamide?
The InChIKey is SNFIBUPVCOZFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN5O3S/c1-12-18(13-5-7-14(21)8-6-13)22-20(30-12)23-19(27)17-9-10-25(24-17)15-3-2-4-16(11-15)26(28)29/h2-11H,1H3,(H,22,23,27).
What are the key properties of N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-(3-nitrophenyl)pyrazole-3-carboxamide?
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-(3-nitrophenyl)pyrazole-3-carboxamide has a molecular weight of 423.43 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-(3-nitrophenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 38485431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).