5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide

C19H20N4O5 — CID 1017819

IUPAC5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)o2)cc1
InChIInChI=1S/C19H20N4O5/c1-12-18(23(25)26)13(2)22(21-12)11-16-8-9-17(28-16)19(24)20-10-14-4-6-15(27-3)7-5-14/h4-9H,10-11H2,1-3H3,(H,20,24)
InChIKeyYZMHCMFLUHZCAB-UHFFFAOYSA-N
MW384.39 g/mol
LogP2.99
Rot. Bonds7

About 5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide

5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide (PubChem CID 1017819) has the molecular formula C19H20N4O5 and a molecular weight of 384.39 g/mol. Its IUPAC name is 5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
PubChem CID1017819
Molecular FormulaC19H20N4O5
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC Name5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)o2)cc1
InChIInChI=1S/C19H20N4O5/c1-12-18(23(25)26)13(2)22(21-12)11-16-8-9-17(28-16)19(24)20-10-14-4-6-15(27-3)7-5-14/h4-9H,10-11H2,1-3H3,(H,20,24)
InChIKeyYZMHCMFLUHZCAB-UHFFFAOYSA-N
XLogP2.99
TPSA112.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 52.99
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 5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[(4-methoxyphenyl)methyl]furan-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

5-[(3,5-Dimethyl-1H-pyrazol-1-YL)methyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide
CID 20876955
[5-[(3,5-Dimethyl-4-nitropyrazol-1-yl)methyl]furan-2-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 998489
5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(3-ethylphenyl)-2-furamide
CID 1224519
methyl 3-{[5-({4-nitro-1H-pyrazol-1-yl}methyl)-2-furoyl]amino}-4-methylbenzoate
CID 1225366
N-[3,5-dimethyl-1-(2,3,4,5,6-pentafluorobenzyl)-1H-pyrazol-4-yl]-5-({2-nitro-4-methylphenoxy}methyl)-2-furamide
CID 4161838
5-[(4-nitropyrazol-1-yl)methyl]-N-(1-phenylethyl)furan-2-carboxamide
CID 4319123
[5-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-2-furanyl]-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
CID 5152527
5-({4-nitro-1H-pyrazol-1-yl}methyl)-N'-(4-propoxybenzylidene)-2-furohydrazide
CID 6873375
N-[(E)-(4-ethoxyphenyl)methylideneamino]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide
CID 6874448
N'-(2,5-dimethoxybenzylidene)-5-({4-nitro-1H-pyrazol-1-yl}methyl)-2-furohydrazide
CID 6874503
N-(3-{N-[5-({4-nitro-1H-pyrazol-1-yl}methyl)-2-furoyl]ethanehydrazonoyl}phenyl)-2-methylpropanamide
CID 9617740
4-nitro-3,5-dimethyl-1-{[5-(1-pyrrolidinylcarbonyl)-2-furyl]methyl}-1H-pyrazole
CID 5077587

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide?
The IUPAC name of 5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide (CID 1017819) is 5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide is COc1ccc(CNC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)o2)cc1.
What is the InChIKey of 5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide?
The InChIKey is YZMHCMFLUHZCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O5/c1-12-18(23(25)26)13(2)22(21-12)11-16-8-9-17(28-16)19(24)20-10-14-4-6-15(27-3)7-5-14/h4-9H,10-11H2,1-3H3,(H,20,24).
What are the key properties of 5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide?
5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide has a molecular weight of 384.39 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 1017819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).