2-(3-methyl-5-nitropyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]acetamide

C20H18N6O3 — CID 19530524

IUPAC2-(3-methyl-5-nitropyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]acetamide
SMILESCc1cc([N+](=O)[O-])n(CC(=O)Nc2cnn(Cc3cccc4ccccc34)c2)n1
InChIInChI=1S/C20H18N6O3/c1-14-9-20(26(28)29)25(23-14)13-19(27)22-17-10-21-24(12-17)11-16-7-4-6-15-5-2-3-8-18(15)16/h2-10,12H,11,13H2,1H3,(H,22,27)
InChIKeyZWDVHROAQCKIBV-UHFFFAOYSA-N
MW390.40 g/mol
LogP3.14
Rot. Bonds6

About 2-(3-methyl-5-nitropyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]acetamide

2-(3-methyl-5-nitropyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]acetamide (PubChem CID 19530524) has the molecular formula C20H18N6O3 and a molecular weight of 390.40 g/mol. Its IUPAC name is 2-(3-methyl-5-nitropyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-(3-methyl-5-nitropyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]acetamide
PubChem CID19530524
Molecular FormulaC20H18N6O3
Molecular Weight390.40 g/mol
Exact Mass390.14
IUPAC Name2-(3-methyl-5-nitropyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]acetamide
SMILESCc1cc([N+](=O)[O-])n(CC(=O)Nc2cnn(Cc3cccc4ccccc34)c2)n1
InChIInChI=1S/C20H18N6O3/c1-14-9-20(26(28)29)25(23-14)13-19(27)22-17-10-21-24(12-17)11-16-7-4-6-15-5-2-3-8-18(15)16/h2-10,12H,11,13H2,1H3,(H,22,27)
InChIKeyZWDVHROAQCKIBV-UHFFFAOYSA-N
XLogP3.14
TPSA107.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 53.14
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
N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-2-(4-nitropyrazol-1-yl)acetamide
CID 19515965
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-2-(3-methyl-5-nitropyrazol-1-yl)acetamide
CID 19530592
N-[1-(ethoxymethyl)pyrazol-4-yl]-2-(3-methyl-5-nitropyrazol-1-yl)acetamide
CID 19530708
3-(4-bromo-3-methylpyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]propanamide
CID 19562021
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(3-methyl-5-nitropyrazol-1-yl)acetamide
CID 19530559
2-(3,5-dimethylpyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide
CID 19525858
3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]propanamide
CID 19563576
N-(4-methyl-3,5-dinitrophenyl)-2-(3-methyl-5-nitropyrazol-1-yl)acetamide
CID 19530615
3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]propanamide
CID 19550222
4-chloro-1,3-dimethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-5-carboxamide
CID 19476955
N-(1-benzylpyrazol-4-yl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
CID 19395788

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-5-nitropyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]acetamide?
The IUPAC name of 2-(3-methyl-5-nitropyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]acetamide (CID 19530524) is 2-(3-methyl-5-nitropyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-(3-methyl-5-nitropyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]acetamide?
The canonical SMILES for 2-(3-methyl-5-nitropyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]acetamide is Cc1cc([N+](=O)[O-])n(CC(=O)Nc2cnn(Cc3cccc4ccccc34)c2)n1.
What is the InChIKey of 2-(3-methyl-5-nitropyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]acetamide?
The InChIKey is ZWDVHROAQCKIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O3/c1-14-9-20(26(28)29)25(23-14)13-19(27)22-17-10-21-24(12-17)11-16-7-4-6-15-5-2-3-8-18(15)16/h2-10,12H,11,13H2,1H3,(H,22,27).
What are the key properties of 2-(3-methyl-5-nitropyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]acetamide?
2-(3-methyl-5-nitropyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]acetamide has a molecular weight of 390.40 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-5-nitropyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]acetamide is sourced from PubChem (CID 19530524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).