2-methyl-N-[2-(4-nitrophenyl)pyrazol-3-yl]furan-3-carboxamide

C15H12N4O4 — CID 56826270

IUPAC2-methyl-N-[2-(4-nitrophenyl)pyrazol-3-yl]furan-3-carboxamide
SMILESCc1occc1C(=O)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H12N4O4/c1-10-13(7-9-23-10)15(20)17-14-6-8-16-18(14)11-2-4-12(5-3-11)19(21)22/h2-9H,1H3,(H,17,20)
InChIKeyPGWBLOLCMKOIPL-UHFFFAOYSA-N
MW312.29 g/mol
LogP2.93
Rot. Bonds4

About 2-methyl-N-[2-(4-nitrophenyl)pyrazol-3-yl]furan-3-carboxamide

2-methyl-N-[2-(4-nitrophenyl)pyrazol-3-yl]furan-3-carboxamide (PubChem CID 56826270) has the molecular formula C15H12N4O4 and a molecular weight of 312.29 g/mol. Its IUPAC name is 2-methyl-N-[2-(4-nitrophenyl)pyrazol-3-yl]furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-(4-nitrophenyl)pyrazol-3-yl]furan-3-carboxamide
PubChem CID56826270
Molecular FormulaC15H12N4O4
Molecular Weight312.29 g/mol
Exact Mass312.09
IUPAC Name2-methyl-N-[2-(4-nitrophenyl)pyrazol-3-yl]furan-3-carboxamide
SMILESCc1occc1C(=O)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H12N4O4/c1-10-13(7-9-23-10)15(20)17-14-6-8-16-18(14)11-2-4-12(5-3-11)19(21)22/h2-9H,1H3,(H,17,20)
InChIKeyPGWBLOLCMKOIPL-UHFFFAOYSA-N
XLogP2.93
TPSA103.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 52.93
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(4-nitrophenyl)pyrazol-3-yl]furan-3-carboxamide?
The IUPAC name of 2-methyl-N-[2-(4-nitrophenyl)pyrazol-3-yl]furan-3-carboxamide (CID 56826270) is 2-methyl-N-[2-(4-nitrophenyl)pyrazol-3-yl]furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-(4-nitrophenyl)pyrazol-3-yl]furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-[2-(4-nitrophenyl)pyrazol-3-yl]furan-3-carboxamide is Cc1occc1C(=O)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-methyl-N-[2-(4-nitrophenyl)pyrazol-3-yl]furan-3-carboxamide?
The InChIKey is PGWBLOLCMKOIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O4/c1-10-13(7-9-23-10)15(20)17-14-6-8-16-18(14)11-2-4-12(5-3-11)19(21)22/h2-9H,1H3,(H,17,20).
What are the key properties of 2-methyl-N-[2-(4-nitrophenyl)pyrazol-3-yl]furan-3-carboxamide?
2-methyl-N-[2-(4-nitrophenyl)pyrazol-3-yl]furan-3-carboxamide has a molecular weight of 312.29 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(4-nitrophenyl)pyrazol-3-yl]furan-3-carboxamide is sourced from PubChem (CID 56826270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).