N,N-diethyl-3-(5-methylfuran-2-yl)-1-(3-nitrophenyl)pyrazole-5-carboxamide

C19H20N4O4 — CID 4234199

IUPACN,N-diethyl-3-(5-methylfuran-2-yl)-1-(3-nitrophenyl)pyrazole-5-carboxamide
SMILESCCN(CC)C(=O)c1cc(-c2ccc(C)o2)nn1-c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C19H20N4O4/c1-4-21(5-2)19(24)17-12-16(18-10-9-13(3)27-18)20-22(17)14-7-6-8-15(11-14)23(25)26/h6-12H,4-5H2,1-3H3
InChIKeyGQTWTIKOZXVAOW-UHFFFAOYSA-N
MW368.39 g/mol
LogP3.83
Rot. Bonds6

About N,N-diethyl-3-(5-methylfuran-2-yl)-1-(3-nitrophenyl)pyrazole-5-carboxamide

N,N-diethyl-3-(5-methylfuran-2-yl)-1-(3-nitrophenyl)pyrazole-5-carboxamide (PubChem CID 4234199) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is N,N-diethyl-3-(5-methylfuran-2-yl)-1-(3-nitrophenyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-3-(5-methylfuran-2-yl)-1-(3-nitrophenyl)pyrazole-5-carboxamide
PubChem CID4234199
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC NameN,N-diethyl-3-(5-methylfuran-2-yl)-1-(3-nitrophenyl)pyrazole-5-carboxamide
SMILESCCN(CC)C(=O)c1cc(-c2ccc(C)o2)nn1-c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C19H20N4O4/c1-4-21(5-2)19(24)17-12-16(18-10-9-13(3)27-18)20-22(17)14-7-6-8-15(11-14)23(25)26/h6-12H,4-5H2,1-3H3
InChIKeyGQTWTIKOZXVAOW-UHFFFAOYSA-N
XLogP3.83
TPSA94.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.83
H-Bond Donors ≤ 50
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'}

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Related Compounds

N-[(2R)-3-methylbutan-2-yl]-3-(5-methylfuran-2-yl)-1-(3-nitrophenyl)pyrazole-5-carboxamide
CID 7236937
[3-(5-methylfuran-2-yl)-1-(3-nitrophenyl)pyrazol-5-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 3907303
[3-(5-methylfuran-2-yl)-1-(3-nitrophenyl)pyrazol-5-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 4234200
N,N-diethyl-5-methyl-1-(3-nitrophenyl)triazole-4-carboxamide
CID 134002140
N-benzyl-3-(furan-2-yl)-1-(3-nitrophenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 1053910
3-(5-methylfuran-2-yl)-1-phenylpyrazole-5-carboxylic acid
CID 812110
N,N-diethyl-1-(3-methylphenyl)-3-phenylpyrazole-5-carboxamide
CID 42758335
3-(5-methylfuran-2-yl)-N-pentyl-1-phenylpyrazole-5-carboxamide
CID 42759443
3-(1-methylpyrrol-2-yl)-1-(4-nitrophenyl)-N,N-dipropylpyrazole-5-carboxamide
CID 4266683
N-benzyl-3-(3-methoxyphenyl)-1-(3-nitrophenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 4031267
N-benzyl-3-(2-fluorophenyl)-1-(3-nitrophenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 3938929
N,N-diethyl-3-(4-methoxyphenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide
CID 3919541

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(5-methylfuran-2-yl)-1-(3-nitrophenyl)pyrazole-5-carboxamide?
The IUPAC name of N,N-diethyl-3-(5-methylfuran-2-yl)-1-(3-nitrophenyl)pyrazole-5-carboxamide (CID 4234199) is N,N-diethyl-3-(5-methylfuran-2-yl)-1-(3-nitrophenyl)pyrazole-5-carboxamide.
What is the SMILES notation for N,N-diethyl-3-(5-methylfuran-2-yl)-1-(3-nitrophenyl)pyrazole-5-carboxamide?
The canonical SMILES for N,N-diethyl-3-(5-methylfuran-2-yl)-1-(3-nitrophenyl)pyrazole-5-carboxamide is CCN(CC)C(=O)c1cc(-c2ccc(C)o2)nn1-c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N,N-diethyl-3-(5-methylfuran-2-yl)-1-(3-nitrophenyl)pyrazole-5-carboxamide?
The InChIKey is GQTWTIKOZXVAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-4-21(5-2)19(24)17-12-16(18-10-9-13(3)27-18)20-22(17)14-7-6-8-15(11-14)23(25)26/h6-12H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-3-(5-methylfuran-2-yl)-1-(3-nitrophenyl)pyrazole-5-carboxamide?
N,N-diethyl-3-(5-methylfuran-2-yl)-1-(3-nitrophenyl)pyrazole-5-carboxamide has a molecular weight of 368.39 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(5-methylfuran-2-yl)-1-(3-nitrophenyl)pyrazole-5-carboxamide is sourced from PubChem (CID 4234199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).