N-methyl-N-(4-nitrophenyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide

C16H20N4O3 — CID 56684702

IUPACN-methyl-N-(4-nitrophenyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1C(C)C(=O)N(C)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H20N4O3/c1-10(15-11(2)17-19(5)12(15)3)16(21)18(4)13-6-8-14(9-7-13)20(22)23/h6-10H,1-5H3
InChIKeyQXNYDNMTJYUTKX-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.71
Rot. Bonds4

About N-methyl-N-(4-nitrophenyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide

N-methyl-N-(4-nitrophenyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 56684702) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-methyl-N-(4-nitrophenyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-methyl-N-(4-nitrophenyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID56684702
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC NameN-methyl-N-(4-nitrophenyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1C(C)C(=O)N(C)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H20N4O3/c1-10(15-11(2)17-19(5)12(15)3)16(21)18(4)13-6-8-14(9-7-13)20(22)23/h6-10H,1-5H3
InChIKeyQXNYDNMTJYUTKX-UHFFFAOYSA-N
XLogP2.71
TPSA81.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-methyl-N-(4-nitrophenyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-methyl-N-(4-nitrophenyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 56684702) is N-methyl-N-(4-nitrophenyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-methyl-N-(4-nitrophenyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-methyl-N-(4-nitrophenyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1C(C)C(=O)N(C)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-methyl-N-(4-nitrophenyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is QXNYDNMTJYUTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-10(15-11(2)17-19(5)12(15)3)16(21)18(4)13-6-8-14(9-7-13)20(22)23/h6-10H,1-5H3.
What are the key properties of N-methyl-N-(4-nitrophenyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-methyl-N-(4-nitrophenyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 316.36 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-nitrophenyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 56684702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).