N-[1-(ethoxymethyl)pyrazol-4-yl]-3-(3-nitropyrazol-1-yl)propanamide

C12H16N6O4 — CID 19566063

IUPACN-[1-(ethoxymethyl)pyrazol-4-yl]-3-(3-nitropyrazol-1-yl)propanamide
SMILESCCOCn1cc(NC(=O)CCn2ccc([N+](=O)[O-])n2)cn1
InChIInChI=1S/C12H16N6O4/c1-2-22-9-17-8-10(7-13-17)14-12(19)4-6-16-5-3-11(15-16)18(20)21/h3,5,7-8H,2,4,6,9H2,1H3,(H,14,19)
InChIKeyMASIMGWKIFLKFW-UHFFFAOYSA-N
MW308.30 g/mol
LogP1.01
Rot. Bonds8

About N-[1-(ethoxymethyl)pyrazol-4-yl]-3-(3-nitropyrazol-1-yl)propanamide

N-[1-(ethoxymethyl)pyrazol-4-yl]-3-(3-nitropyrazol-1-yl)propanamide (PubChem CID 19566063) has the molecular formula C12H16N6O4 and a molecular weight of 308.30 g/mol. Its IUPAC name is N-[1-(ethoxymethyl)pyrazol-4-yl]-3-(3-nitropyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[1-(ethoxymethyl)pyrazol-4-yl]-3-(3-nitropyrazol-1-yl)propanamide
PubChem CID19566063
Molecular FormulaC12H16N6O4
Molecular Weight308.30 g/mol
Exact Mass308.12
IUPAC NameN-[1-(ethoxymethyl)pyrazol-4-yl]-3-(3-nitropyrazol-1-yl)propanamide
SMILESCCOCn1cc(NC(=O)CCn2ccc([N+](=O)[O-])n2)cn1
InChIInChI=1S/C12H16N6O4/c1-2-22-9-17-8-10(7-13-17)14-12(19)4-6-16-5-3-11(15-16)18(20)21/h3,5,7-8H,2,4,6,9H2,1H3,(H,14,19)
InChIKeyMASIMGWKIFLKFW-UHFFFAOYSA-N
XLogP1.01
TPSA117.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

1-[3-[[1-(ethoxymethyl)pyrazol-4-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19470809
N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3-(3-nitropyrazol-1-yl)propanamide
CID 19565937
3-(4-bromo-3-methylpyrazol-1-yl)-N-[1-(ethoxymethyl)pyrazol-4-yl]propanamide
CID 19565773
N-[1-(ethoxymethyl)pyrazol-4-yl]-1-methyl-4-nitropyrazole-5-carboxamide
CID 19478554
N-[1-(methoxymethyl)pyrazol-4-yl]-3-(3-methylpyrazol-1-yl)propanamide
CID 19559500
N-[1-(ethoxymethyl)pyrazol-4-yl]-3,5-dinitrobenzamide
CID 19340493
N-[1-(ethoxymethyl)pyrazol-4-yl]-1-methylpyrazole-3-carboxamide
CID 19262670
N-[1-(ethoxymethyl)pyrazol-4-yl]-2-methyl-3-nitrobenzamide
CID 19340481
N-(3-methoxy-5-nitrophenyl)-3-(3-nitropyrazol-1-yl)propanamide
CID 19565880
N-(5-methyl-2-pyridinyl)-3-(3-nitropyrazol-1-yl)propanamide
CID 843438
N-[1-(ethoxymethyl)pyrazol-4-yl]-2-(3-methyl-5-nitropyrazol-1-yl)acetamide
CID 19530708
2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-[1-(ethoxymethyl)pyrazol-4-yl]acetamide
CID 19529803

Frequently Asked Questions

What is the IUPAC name of N-[1-(ethoxymethyl)pyrazol-4-yl]-3-(3-nitropyrazol-1-yl)propanamide?
The IUPAC name of N-[1-(ethoxymethyl)pyrazol-4-yl]-3-(3-nitropyrazol-1-yl)propanamide (CID 19566063) is N-[1-(ethoxymethyl)pyrazol-4-yl]-3-(3-nitropyrazol-1-yl)propanamide.
What is the SMILES notation for N-[1-(ethoxymethyl)pyrazol-4-yl]-3-(3-nitropyrazol-1-yl)propanamide?
The canonical SMILES for N-[1-(ethoxymethyl)pyrazol-4-yl]-3-(3-nitropyrazol-1-yl)propanamide is CCOCn1cc(NC(=O)CCn2ccc([N+](=O)[O-])n2)cn1.
What is the InChIKey of N-[1-(ethoxymethyl)pyrazol-4-yl]-3-(3-nitropyrazol-1-yl)propanamide?
The InChIKey is MASIMGWKIFLKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O4/c1-2-22-9-17-8-10(7-13-17)14-12(19)4-6-16-5-3-11(15-16)18(20)21/h3,5,7-8H,2,4,6,9H2,1H3,(H,14,19).
What are the key properties of N-[1-(ethoxymethyl)pyrazol-4-yl]-3-(3-nitropyrazol-1-yl)propanamide?
N-[1-(ethoxymethyl)pyrazol-4-yl]-3-(3-nitropyrazol-1-yl)propanamide has a molecular weight of 308.30 g/mol, XLogP of 1.01, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(ethoxymethyl)pyrazol-4-yl]-3-(3-nitropyrazol-1-yl)propanamide is sourced from PubChem (CID 19566063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).