2-(3-nitrophenyl)-N-(1H-pyrazol-4-yl)propanamide

C12H12N4O3 — CID 106592132

IUPAC2-(3-nitrophenyl)-N-(1H-pyrazol-4-yl)propanamide
SMILESCC(C(=O)Nc1cn[nH]c1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C12H12N4O3/c1-8(12(17)15-10-6-13-14-7-10)9-3-2-4-11(5-9)16(18)19/h2-8H,1H3,(H,13,14)(H,15,17)
InChIKeyNBCILVPQUWTFRM-UHFFFAOYSA-N
MW260.25 g/mol
LogP2.06
Rot. Bonds4

About 2-(3-nitrophenyl)-N-(1H-pyrazol-4-yl)propanamide

2-(3-nitrophenyl)-N-(1H-pyrazol-4-yl)propanamide (PubChem CID 106592132) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is 2-(3-nitrophenyl)-N-(1H-pyrazol-4-yl)propanamide.

Molecular Properties

Compound Name2-(3-nitrophenyl)-N-(1H-pyrazol-4-yl)propanamide
PubChem CID106592132
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC Name2-(3-nitrophenyl)-N-(1H-pyrazol-4-yl)propanamide
SMILESCC(C(=O)Nc1cn[nH]c1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C12H12N4O3/c1-8(12(17)15-10-6-13-14-7-10)9-3-2-4-11(5-9)16(18)19/h2-8H,1H3,(H,13,14)(H,15,17)
InChIKeyNBCILVPQUWTFRM-UHFFFAOYSA-N
XLogP2.06
TPSA100.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(4-iodophenyl)-2-(3-nitrophenyl)propanamide
CID 106592010
N-[1-(3-nitrophenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 54867729
N-(2-bromophenyl)-2-(3-nitrophenyl)propanamide
CID 106592005
N-(2-bromo-3-pyridinyl)-2-(3-nitrophenyl)propanamide
CID 106737138
N-[(2S)-2-hydroxypropyl]-2-(3-nitrophenyl)propanamide
CID 106592096
3-nitro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856378
2-[2-(3-nitrophenyl)propanoylamino]acetic acid
CID 106591944
N-(1-hydroxy-2-methylpropan-2-yl)-2-(3-nitrophenyl)propanamide
CID 106592029
N-(3-hydroxycyclobutyl)-2-(3-nitrophenyl)propanamide
CID 106592073
N-[2-(ethylamino)ethyl]-2-(3-nitrophenyl)propanamide
CID 106592192
2-(3-nitrophenyl)-N-(2H-tetrazol-5-ylmethyl)propanamide
CID 106592140
2-methoxy-2-phenyl-N-(1H-pyrazol-4-yl)acetamide
CID 60968186

Frequently Asked Questions

What is the IUPAC name of 2-(3-nitrophenyl)-N-(1H-pyrazol-4-yl)propanamide?
The IUPAC name of 2-(3-nitrophenyl)-N-(1H-pyrazol-4-yl)propanamide (CID 106592132) is 2-(3-nitrophenyl)-N-(1H-pyrazol-4-yl)propanamide.
What is the SMILES notation for 2-(3-nitrophenyl)-N-(1H-pyrazol-4-yl)propanamide?
The canonical SMILES for 2-(3-nitrophenyl)-N-(1H-pyrazol-4-yl)propanamide is CC(C(=O)Nc1cn[nH]c1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-(3-nitrophenyl)-N-(1H-pyrazol-4-yl)propanamide?
The InChIKey is NBCILVPQUWTFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3/c1-8(12(17)15-10-6-13-14-7-10)9-3-2-4-11(5-9)16(18)19/h2-8H,1H3,(H,13,14)(H,15,17).
What are the key properties of 2-(3-nitrophenyl)-N-(1H-pyrazol-4-yl)propanamide?
2-(3-nitrophenyl)-N-(1H-pyrazol-4-yl)propanamide has a molecular weight of 260.25 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-nitrophenyl)-N-(1H-pyrazol-4-yl)propanamide is sourced from PubChem (CID 106592132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).