N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-2-(4-nitropyrazol-1-yl)acetamide

C19H16N6O3 — CID 19515965

IUPACN-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-2-(4-nitropyrazol-1-yl)acetamide
SMILESO=C(Cn1cc([N+](=O)[O-])cn1)Nc1cnn(Cc2cccc3ccccc23)c1
InChIInChI=1S/C19H16N6O3/c26-19(13-24-12-17(9-21-24)25(27)28)22-16-8-20-23(11-16)10-15-6-3-5-14-4-1-2-7-18(14)15/h1-9,11-12H,10,13H2,(H,22,26)
InChIKeyNNGYJANJHJMIPK-UHFFFAOYSA-N
MW376.38 g/mol
LogP2.83
Rot. Bonds6

About N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-2-(4-nitropyrazol-1-yl)acetamide

N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-2-(4-nitropyrazol-1-yl)acetamide (PubChem CID 19515965) has the molecular formula C19H16N6O3 and a molecular weight of 376.38 g/mol. Its IUPAC name is N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-2-(4-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-2-(4-nitropyrazol-1-yl)acetamide
PubChem CID19515965
Molecular FormulaC19H16N6O3
Molecular Weight376.38 g/mol
Exact Mass376.13
IUPAC NameN-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-2-(4-nitropyrazol-1-yl)acetamide
SMILESO=C(Cn1cc([N+](=O)[O-])cn1)Nc1cnn(Cc2cccc3ccccc23)c1
InChIInChI=1S/C19H16N6O3/c26-19(13-24-12-17(9-21-24)25(27)28)22-16-8-20-23(11-16)10-15-6-3-5-14-4-1-2-7-18(14)15/h1-9,11-12H,10,13H2,(H,22,26)
InChIKeyNNGYJANJHJMIPK-UHFFFAOYSA-N
XLogP2.83
TPSA107.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 52.83
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

2-(5-methyl-3-nitropyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]acetamide
CID 19521281
2-(3-methyl-5-nitropyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]acetamide
CID 19530524
5-methyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-4-[(4-nitropyrazol-1-yl)methyl]-1,2-oxazole-3-carboxamide
CID 19442429
N-benzyl-2-(4-nitropyrazol-1-yl)acetamide
CID 2983141
2-(4-nitropyrazol-1-yl)-N-(2-propylphenyl)acetamide
CID 31870599
1-(4-chlorophenyl)-3-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]urea
CID 19447846
N-(4-methylphenyl)-2-(4-nitropyrazol-1-yl)acetamide
CID 19579263
3-(4-bromo-3-methylpyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]propanamide
CID 19562021
2-bromo-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide
CID 19397858
4-chloro-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide
CID 19399595
4-(1H-indol-3-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]butanamide
CID 19397829
N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-2-(4-nitropyrazol-1-yl)acetamide
CID 19516055

Frequently Asked Questions

What is the IUPAC name of N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-2-(4-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-2-(4-nitropyrazol-1-yl)acetamide (CID 19515965) is N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-2-(4-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-2-(4-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-2-(4-nitropyrazol-1-yl)acetamide is O=C(Cn1cc([N+](=O)[O-])cn1)Nc1cnn(Cc2cccc3ccccc23)c1.
What is the InChIKey of N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-2-(4-nitropyrazol-1-yl)acetamide?
The InChIKey is NNGYJANJHJMIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O3/c26-19(13-24-12-17(9-21-24)25(27)28)22-16-8-20-23(11-16)10-15-6-3-5-14-4-1-2-7-18(14)15/h1-9,11-12H,10,13H2,(H,22,26).
What are the key properties of N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-2-(4-nitropyrazol-1-yl)acetamide?
N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-2-(4-nitropyrazol-1-yl)acetamide has a molecular weight of 376.38 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-2-(4-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 19515965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).