3-(4-nitropyrazol-1-yl)-N-(3-phenylprop-2-enyl)propanamide

C15H16N4O3 — CID 154748564

IUPAC3-(4-nitropyrazol-1-yl)-N-(3-phenylprop-2-enyl)propanamide
SMILESO=C(CCn1cc([N+](=O)[O-])cn1)NCC=Cc1ccccc1
InChIInChI=1S/C15H16N4O3/c20-15(8-10-18-12-14(11-17-18)19(21)22)16-9-4-7-13-5-2-1-3-6-13/h1-7,11-12H,8-10H2,(H,16,20)
InChIKeyINPDLVRNFPJZEI-UHFFFAOYSA-N
MW300.32 g/mol
LogP2.01
Rot. Bonds7

About 3-(4-nitropyrazol-1-yl)-N-(3-phenylprop-2-enyl)propanamide

3-(4-nitropyrazol-1-yl)-N-(3-phenylprop-2-enyl)propanamide (PubChem CID 154748564) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is 3-(4-nitropyrazol-1-yl)-N-(3-phenylprop-2-enyl)propanamide.

Molecular Properties

Compound Name3-(4-nitropyrazol-1-yl)-N-(3-phenylprop-2-enyl)propanamide
PubChem CID154748564
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name3-(4-nitropyrazol-1-yl)-N-(3-phenylprop-2-enyl)propanamide
SMILESO=C(CCn1cc([N+](=O)[O-])cn1)NCC=Cc1ccccc1
InChIInChI=1S/C15H16N4O3/c20-15(8-10-18-12-14(11-17-18)19(21)22)16-9-4-7-13-5-2-1-3-6-13/h1-7,11-12H,8-10H2,(H,16,20)
InChIKeyINPDLVRNFPJZEI-UHFFFAOYSA-N
XLogP2.01
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 52.01
H-Bond Donors ≤ 51
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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Related Compounds

methyl 3-(4-nitropyrazol-1-yl)propanoate
CID 4184227
N-(4-acetamidophenyl)-4-(4-nitropyrazol-1-yl)butanamide
CID 1259508
N-(3,5-difluorophenyl)-3-(4-nitropyrazol-1-yl)propanamide
CID 60573218
N-(6-methyl-2-pyridinyl)-3-(4-nitropyrazol-1-yl)propanamide
CID 60574033
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-(4-nitropyrazol-1-yl)propanamide
CID 111451400
2-(naphthalen-2-ylmethyl)-3-[3-(4-nitropyrazol-1-yl)propanoylamino]propanoic acid
CID 119245507
2-[(3-methylphenyl)methyl]-3-[3-(4-nitropyrazol-1-yl)propanoylamino]propanoic acid
CID 119243383
3-(4-nitropyrazol-1-yl)-N-[(2S)-1,1,1-trifluoro-4-phenylbutan-2-yl]propanamide
CID 97260556
N-[2-(azepan-1-yl)phenyl]-3-(4-nitropyrazol-1-yl)propanamide
CID 60574074
N-benzyl-2-(4-nitropyrazol-1-yl)acetamide
CID 2983141
N-(4,5-dichloro-2-pyridinyl)-3-(4-nitropyrazol-1-yl)propanamide
CID 71869130
3-(4-nitropyrazol-1-yl)-N-(2-phenoxycyclopentyl)propanamide
CID 71876400

Frequently Asked Questions

What is the IUPAC name of 3-(4-nitropyrazol-1-yl)-N-(3-phenylprop-2-enyl)propanamide?
The IUPAC name of 3-(4-nitropyrazol-1-yl)-N-(3-phenylprop-2-enyl)propanamide (CID 154748564) is 3-(4-nitropyrazol-1-yl)-N-(3-phenylprop-2-enyl)propanamide.
What is the SMILES notation for 3-(4-nitropyrazol-1-yl)-N-(3-phenylprop-2-enyl)propanamide?
The canonical SMILES for 3-(4-nitropyrazol-1-yl)-N-(3-phenylprop-2-enyl)propanamide is O=C(CCn1cc([N+](=O)[O-])cn1)NCC=Cc1ccccc1.
What is the InChIKey of 3-(4-nitropyrazol-1-yl)-N-(3-phenylprop-2-enyl)propanamide?
The InChIKey is INPDLVRNFPJZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c20-15(8-10-18-12-14(11-17-18)19(21)22)16-9-4-7-13-5-2-1-3-6-13/h1-7,11-12H,8-10H2,(H,16,20).
What are the key properties of 3-(4-nitropyrazol-1-yl)-N-(3-phenylprop-2-enyl)propanamide?
3-(4-nitropyrazol-1-yl)-N-(3-phenylprop-2-enyl)propanamide has a molecular weight of 300.32 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-nitropyrazol-1-yl)-N-(3-phenylprop-2-enyl)propanamide is sourced from PubChem (CID 154748564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).