N-[(1,3-diphenylpyrazol-4-yl)methyl]-5-nitrofuran-2-carboxamide

C21H16N4O4 — CID 42358565

IUPACN-[(1,3-diphenylpyrazol-4-yl)methyl]-5-nitrofuran-2-carboxamide
SMILESO=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C21H16N4O4/c26-21(18-11-12-19(29-18)25(27)28)22-13-16-14-24(17-9-5-2-6-10-17)23-20(16)15-7-3-1-4-8-15/h1-12,14H,13H2,(H,22,26)
InChIKeyBVTMZQRBVODRRG-UHFFFAOYSA-N
MW388.38 g/mol
LogP3.97
Rot. Bonds6

About N-[(1,3-diphenylpyrazol-4-yl)methyl]-5-nitrofuran-2-carboxamide

N-[(1,3-diphenylpyrazol-4-yl)methyl]-5-nitrofuran-2-carboxamide (PubChem CID 42358565) has the molecular formula C21H16N4O4 and a molecular weight of 388.38 g/mol. Its IUPAC name is N-[(1,3-diphenylpyrazol-4-yl)methyl]-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(1,3-diphenylpyrazol-4-yl)methyl]-5-nitrofuran-2-carboxamide
PubChem CID42358565
Molecular FormulaC21H16N4O4
Molecular Weight388.38 g/mol
Exact Mass388.12
IUPAC NameN-[(1,3-diphenylpyrazol-4-yl)methyl]-5-nitrofuran-2-carboxamide
SMILESO=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C21H16N4O4/c26-21(18-11-12-19(29-18)25(27)28)22-13-16-14-24(17-9-5-2-6-10-17)23-20(16)15-7-3-1-4-8-15/h1-12,14H,13H2,(H,22,26)
InChIKeyBVTMZQRBVODRRG-UHFFFAOYSA-N
XLogP3.97
TPSA103.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.38
LogP ≤ 53.97
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-[(1,3-diphenylpyrazol-4-yl)methyl]-5-nitrofuran-2-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-[(1,3-diphenylpyrazol-4-yl)methyl]-2-nitrocyclopropane-1-carboxamide
CID 47037300
N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-2-nitrobenzamide
CID 24516164
1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(4-nitrophenyl)thiourea
CID 19324990
N-butyl-3-(5-nitrofuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 54484761
4-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzamide
CID 19290337
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-nitrofuran-2-carboxamide
CID 134013897
5-bromo-N-[2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylamino]-2-oxoethyl]furan-2-carboxamide
CID 24551892
5-nitro-N-[(4-pyrazol-1-ylphenyl)methyl]furan-2-carboxamide
CID 71941563
N-[(2-bromophenyl)methyl]-5-nitrofuran-2-carboxamide
CID 17146681
1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(3-nitrophenyl)thiourea
CID 2208456
3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzamide
CID 19288852
4-bromo-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-methylpyrazole-3-carboxamide
CID 19262748

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-diphenylpyrazol-4-yl)methyl]-5-nitrofuran-2-carboxamide?
The IUPAC name of N-[(1,3-diphenylpyrazol-4-yl)methyl]-5-nitrofuran-2-carboxamide (CID 42358565) is N-[(1,3-diphenylpyrazol-4-yl)methyl]-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-[(1,3-diphenylpyrazol-4-yl)methyl]-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-[(1,3-diphenylpyrazol-4-yl)methyl]-5-nitrofuran-2-carboxamide is O=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-[(1,3-diphenylpyrazol-4-yl)methyl]-5-nitrofuran-2-carboxamide?
The InChIKey is BVTMZQRBVODRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O4/c26-21(18-11-12-19(29-18)25(27)28)22-13-16-14-24(17-9-5-2-6-10-17)23-20(16)15-7-3-1-4-8-15/h1-12,14H,13H2,(H,22,26).
What are the key properties of N-[(1,3-diphenylpyrazol-4-yl)methyl]-5-nitrofuran-2-carboxamide?
N-[(1,3-diphenylpyrazol-4-yl)methyl]-5-nitrofuran-2-carboxamide has a molecular weight of 388.38 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-diphenylpyrazol-4-yl)methyl]-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 42358565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).