N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-2-(4-nitrophenoxy)acetamide

C19H18N4O5 — CID 60574874

IUPACN-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-2-(4-nitrophenoxy)acetamide
SMILESCOc1ccc(-n2ccc(CNC(=O)COc3ccc([N+](=O)[O-])cc3)n2)cc1
InChIInChI=1S/C19H18N4O5/c1-27-17-6-2-15(3-7-17)22-11-10-14(21-22)12-20-19(24)13-28-18-8-4-16(5-9-18)23(25)26/h2-11H,12-13H2,1H3,(H,20,24)
InChIKeyFCXAUXBBOPRGPJ-UHFFFAOYSA-N
MW382.38 g/mol
LogP2.48
Rot. Bonds8

About N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-2-(4-nitrophenoxy)acetamide

N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-2-(4-nitrophenoxy)acetamide (PubChem CID 60574874) has the molecular formula C19H18N4O5 and a molecular weight of 382.38 g/mol. Its IUPAC name is N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-2-(4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-2-(4-nitrophenoxy)acetamide
PubChem CID60574874
Molecular FormulaC19H18N4O5
Molecular Weight382.38 g/mol
Exact Mass382.13
IUPAC NameN-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-2-(4-nitrophenoxy)acetamide
SMILESCOc1ccc(-n2ccc(CNC(=O)COc3ccc([N+](=O)[O-])cc3)n2)cc1
InChIInChI=1S/C19H18N4O5/c1-27-17-6-2-15(3-7-17)22-11-10-14(21-22)12-20-19(24)13-28-18-8-4-16(5-9-18)23(25)26/h2-11H,12-13H2,1H3,(H,20,24)
InChIKeyFCXAUXBBOPRGPJ-UHFFFAOYSA-N
XLogP2.48
TPSA108.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

(2R)-2-amino-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]propanamide;hydrochloride
CID 119302651
(4-nitrophenyl) 3-[[2-(4-methoxyphenoxy)acetyl]amino]propanoate
CID 19195677
N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-4-(3-nitrophenyl)-1,3-thiazol-2-amine
CID 167757390
2-amino-3-methoxy-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]propanamide
CID 120987280
2-amino-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-3-methylpentanamide
CID 119747670
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-(4-nitrophenoxy)acetamide
CID 34906740
2-(4-methoxyphenoxy)-N-[[[2-(4-nitrophenoxy)acetyl]amino]carbamothioyl]acetamide
CID 3307651
N-(2-acetamidoethyl)-2-(4-nitrophenoxy)acetamide
CID 41161661
2-amino-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]pentanamide;hydrochloride
CID 119302653
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-(4-nitrophenoxy)acetamide
CID 108737701
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(4-methoxyphenoxy)acetamide
CID 134027741
3-(chloromethyl)-1-(4-nitrophenyl)pyrazole
CID 13384024

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-2-(4-nitrophenoxy)acetamide?
The IUPAC name of N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-2-(4-nitrophenoxy)acetamide (CID 60574874) is N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-2-(4-nitrophenoxy)acetamide.
What is the SMILES notation for N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-2-(4-nitrophenoxy)acetamide?
The canonical SMILES for N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-2-(4-nitrophenoxy)acetamide is COc1ccc(-n2ccc(CNC(=O)COc3ccc([N+](=O)[O-])cc3)n2)cc1.
What is the InChIKey of N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-2-(4-nitrophenoxy)acetamide?
The InChIKey is FCXAUXBBOPRGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O5/c1-27-17-6-2-15(3-7-17)22-11-10-14(21-22)12-20-19(24)13-28-18-8-4-16(5-9-18)23(25)26/h2-11H,12-13H2,1H3,(H,20,24).
What are the key properties of N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-2-(4-nitrophenoxy)acetamide?
N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-2-(4-nitrophenoxy)acetamide has a molecular weight of 382.38 g/mol, XLogP of 2.48, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-2-(4-nitrophenoxy)acetamide is sourced from PubChem (CID 60574874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).