2-(3-methoxy-4-nitropyrazol-1-yl)-N-(1-phenylethyl)propanamide

C15H18N4O4 — CID 19528180

IUPAC2-(3-methoxy-4-nitropyrazol-1-yl)-N-(1-phenylethyl)propanamide
SMILESCOc1nn(C(C)C(=O)NC(C)c2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H18N4O4/c1-10(12-7-5-4-6-8-12)16-14(20)11(2)18-9-13(19(21)22)15(17-18)23-3/h4-11H,1-3H3,(H,16,20)
InChIKeyLNQYVHTWNFJPDH-UHFFFAOYSA-N
MW318.33 g/mol
LogP2.24
Rot. Bonds6

About 2-(3-methoxy-4-nitropyrazol-1-yl)-N-(1-phenylethyl)propanamide

2-(3-methoxy-4-nitropyrazol-1-yl)-N-(1-phenylethyl)propanamide (PubChem CID 19528180) has the molecular formula C15H18N4O4 and a molecular weight of 318.33 g/mol. Its IUPAC name is 2-(3-methoxy-4-nitropyrazol-1-yl)-N-(1-phenylethyl)propanamide.

Molecular Properties

Compound Name2-(3-methoxy-4-nitropyrazol-1-yl)-N-(1-phenylethyl)propanamide
PubChem CID19528180
Molecular FormulaC15H18N4O4
Molecular Weight318.33 g/mol
Exact Mass318.13
IUPAC Name2-(3-methoxy-4-nitropyrazol-1-yl)-N-(1-phenylethyl)propanamide
SMILESCOc1nn(C(C)C(=O)NC(C)c2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H18N4O4/c1-10(12-7-5-4-6-8-12)16-14(20)11(2)18-9-13(19(21)22)15(17-18)23-3/h4-11H,1-3H3,(H,16,20)
InChIKeyLNQYVHTWNFJPDH-UHFFFAOYSA-N
XLogP2.24
TPSA99.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 52.24
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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Related Compounds

methyl 2-[[[(2R)-2-(3-methoxy-4-nitropyrazol-1-yl)propanoyl]amino]carbamoylamino]benzoate
CID 42561442
2-(3-methoxy-4-nitropyrazol-1-yl)-N-prop-2-enylpropanamide
CID 19528144
2-(3-methoxy-4-nitropyrazol-1-yl)-N-octadecylpropanamide
CID 19528152
2-(3-methyl-4-nitropyrazol-1-yl)-N-[1-(4-pyrrol-1-ylphenyl)ethyl]propanamide
CID 19533179
1-[2-(3-methoxy-4-nitropyrazol-1-yl)propanoylamino]-3-[2-(trifluoromethyl)phenyl]thiourea
CID 2955227
N-(2-benzoyl-4-chlorophenyl)-2-(3-methoxy-4-nitropyrazol-1-yl)propanamide
CID 19528150
(2S)-2-(3-methoxy-4-nitropyrazol-1-yl)-N-(naphthalen-1-ylmethylideneamino)propanamide
CID 1028331
(2R)-N-[(4-hydroxyphenyl)methylideneamino]-2-(3-methoxy-4-nitropyrazol-1-yl)propanamide
CID 841151
2-(4-bromo-3-methylpyrazol-1-yl)-N-(1-phenylethyl)propanamide
CID 19533359
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-(3-methoxy-4-nitropyrazol-1-yl)propanamide
CID 19528241
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(3-methoxy-4-nitropyrazol-1-yl)propanamide
CID 19528260
N-[3-[2-(3-methoxy-4-nitropyrazol-1-yl)propanoylamino]phenyl]-1-methylpyrazole-3-carboxamide
CID 19528369

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-4-nitropyrazol-1-yl)-N-(1-phenylethyl)propanamide?
The IUPAC name of 2-(3-methoxy-4-nitropyrazol-1-yl)-N-(1-phenylethyl)propanamide (CID 19528180) is 2-(3-methoxy-4-nitropyrazol-1-yl)-N-(1-phenylethyl)propanamide.
What is the SMILES notation for 2-(3-methoxy-4-nitropyrazol-1-yl)-N-(1-phenylethyl)propanamide?
The canonical SMILES for 2-(3-methoxy-4-nitropyrazol-1-yl)-N-(1-phenylethyl)propanamide is COc1nn(C(C)C(=O)NC(C)c2ccccc2)cc1[N+](=O)[O-].
What is the InChIKey of 2-(3-methoxy-4-nitropyrazol-1-yl)-N-(1-phenylethyl)propanamide?
The InChIKey is LNQYVHTWNFJPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4/c1-10(12-7-5-4-6-8-12)16-14(20)11(2)18-9-13(19(21)22)15(17-18)23-3/h4-11H,1-3H3,(H,16,20).
What are the key properties of 2-(3-methoxy-4-nitropyrazol-1-yl)-N-(1-phenylethyl)propanamide?
2-(3-methoxy-4-nitropyrazol-1-yl)-N-(1-phenylethyl)propanamide has a molecular weight of 318.33 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-4-nitropyrazol-1-yl)-N-(1-phenylethyl)propanamide is sourced from PubChem (CID 19528180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).