N-[2-(difluoromethoxy)-5-methylphenyl]-2-(4-nitropyrazol-1-yl)propanamide

C14H14F2N4O4 — CID 19528875

IUPACN-[2-(difluoromethoxy)-5-methylphenyl]-2-(4-nitropyrazol-1-yl)propanamide
SMILESCc1ccc(OC(F)F)c(NC(=O)C(C)n2cc([N+](=O)[O-])cn2)c1
InChIInChI=1S/C14H14F2N4O4/c1-8-3-4-12(24-14(15)16)11(5-8)18-13(21)9(2)19-7-10(6-17-19)20(22)23/h3-7,9,14H,1-2H3,(H,18,21)
InChIKeyYQTWUNFAMJRABL-UHFFFAOYSA-N
MW340.29 g/mol
LogP2.90
Rot. Bonds6

About N-[2-(difluoromethoxy)-5-methylphenyl]-2-(4-nitropyrazol-1-yl)propanamide

N-[2-(difluoromethoxy)-5-methylphenyl]-2-(4-nitropyrazol-1-yl)propanamide (PubChem CID 19528875) has the molecular formula C14H14F2N4O4 and a molecular weight of 340.29 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)-5-methylphenyl]-2-(4-nitropyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)-5-methylphenyl]-2-(4-nitropyrazol-1-yl)propanamide
PubChem CID19528875
Molecular FormulaC14H14F2N4O4
Molecular Weight340.29 g/mol
Exact Mass340.10
IUPAC NameN-[2-(difluoromethoxy)-5-methylphenyl]-2-(4-nitropyrazol-1-yl)propanamide
SMILESCc1ccc(OC(F)F)c(NC(=O)C(C)n2cc([N+](=O)[O-])cn2)c1
InChIInChI=1S/C14H14F2N4O4/c1-8-3-4-12(24-14(15)16)11(5-8)18-13(21)9(2)19-7-10(6-17-19)20(22)23/h3-7,9,14H,1-2H3,(H,18,21)
InChIKeyYQTWUNFAMJRABL-UHFFFAOYSA-N
XLogP2.90
TPSA99.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.29
LogP ≤ 52.90
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 N-[2-(difluoromethoxy)-5-methylphenyl]-2-(4-nitropyrazol-1-yl)propanamide?
The IUPAC name of N-[2-(difluoromethoxy)-5-methylphenyl]-2-(4-nitropyrazol-1-yl)propanamide (CID 19528875) is N-[2-(difluoromethoxy)-5-methylphenyl]-2-(4-nitropyrazol-1-yl)propanamide.
What is the SMILES notation for N-[2-(difluoromethoxy)-5-methylphenyl]-2-(4-nitropyrazol-1-yl)propanamide?
The canonical SMILES for N-[2-(difluoromethoxy)-5-methylphenyl]-2-(4-nitropyrazol-1-yl)propanamide is Cc1ccc(OC(F)F)c(NC(=O)C(C)n2cc([N+](=O)[O-])cn2)c1.
What is the InChIKey of N-[2-(difluoromethoxy)-5-methylphenyl]-2-(4-nitropyrazol-1-yl)propanamide?
The InChIKey is YQTWUNFAMJRABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N4O4/c1-8-3-4-12(24-14(15)16)11(5-8)18-13(21)9(2)19-7-10(6-17-19)20(22)23/h3-7,9,14H,1-2H3,(H,18,21).
What are the key properties of N-[2-(difluoromethoxy)-5-methylphenyl]-2-(4-nitropyrazol-1-yl)propanamide?
N-[2-(difluoromethoxy)-5-methylphenyl]-2-(4-nitropyrazol-1-yl)propanamide has a molecular weight of 340.29 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)-5-methylphenyl]-2-(4-nitropyrazol-1-yl)propanamide is sourced from PubChem (CID 19528875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).