N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-3-(4-nitropyrazol-1-yl)propanamide

C14H20N6O3 — CID 19575645

IUPACN-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-3-(4-nitropyrazol-1-yl)propanamide
SMILESCCn1ncc(CN(C)C(=O)CCn2cc([N+](=O)[O-])cn2)c1C
InChIInChI=1S/C14H20N6O3/c1-4-19-11(2)12(7-16-19)9-17(3)14(21)5-6-18-10-13(8-15-18)20(22)23/h7-8,10H,4-6,9H2,1-3H3
InChIKeyHDVNCPRAWMPESS-UHFFFAOYSA-N
MW320.35 g/mol
LogP1.36
Rot. Bonds7

About N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-3-(4-nitropyrazol-1-yl)propanamide

N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-3-(4-nitropyrazol-1-yl)propanamide (PubChem CID 19575645) has the molecular formula C14H20N6O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-3-(4-nitropyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-3-(4-nitropyrazol-1-yl)propanamide
PubChem CID19575645
Molecular FormulaC14H20N6O3
Molecular Weight320.35 g/mol
Exact Mass320.16
IUPAC NameN-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-3-(4-nitropyrazol-1-yl)propanamide
SMILESCCn1ncc(CN(C)C(=O)CCn2cc([N+](=O)[O-])cn2)c1C
InChIInChI=1S/C14H20N6O3/c1-4-19-11(2)12(7-16-19)9-17(3)14(21)5-6-18-10-13(8-15-18)20(22)23/h7-8,10H,4-6,9H2,1-3H3
InChIKeyHDVNCPRAWMPESS-UHFFFAOYSA-N
XLogP1.36
TPSA99.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 51.36
H-Bond Donors ≤ 50
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

4-[[methyl-[3-(4-nitropyrazol-1-yl)propanoyl]amino]methyl]benzoic acid
CID 119226131
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,1-dimethyl-4-nitropyrazole-3-carboxamide
CID 4769593
N-(1-aminopropan-2-yl)-N-methyl-3-(4-nitropyrazol-1-yl)propanamide;hydrochloride
CID 119583121
N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(4-nitropyrazol-1-yl)propanamide;hydrochloride
CID 119654576
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-methyl-3-(4-nitropyrazol-1-yl)propanamide
CID 19562469
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-3-(4-methylpyrazol-1-yl)propanamide
CID 19558308
N-[3-[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylamino]-3-oxopropyl]-4-methylbenzamide
CID 122131084
1-ethyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,5-dimethylpyrazole-4-carboxamide
CID 19477894
1-[2-[methyl-[3-(4-nitropyrazol-1-yl)propanoyl]amino]acetyl]piperidine-4-carboxylic acid
CID 119236475
methyl 3-(4-nitropyrazol-1-yl)propanoate
CID 4184227
(E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[2-(4-nitropyrazol-1-yl)ethyl]prop-2-enamide
CID 19281888
N-benzyl-3-(4-nitropyrazol-1-yl)-N-propan-2-ylpropanamide
CID 60573937

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-3-(4-nitropyrazol-1-yl)propanamide?
The IUPAC name of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-3-(4-nitropyrazol-1-yl)propanamide (CID 19575645) is N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-3-(4-nitropyrazol-1-yl)propanamide.
What is the SMILES notation for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-3-(4-nitropyrazol-1-yl)propanamide?
The canonical SMILES for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-3-(4-nitropyrazol-1-yl)propanamide is CCn1ncc(CN(C)C(=O)CCn2cc([N+](=O)[O-])cn2)c1C.
What is the InChIKey of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-3-(4-nitropyrazol-1-yl)propanamide?
The InChIKey is HDVNCPRAWMPESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O3/c1-4-19-11(2)12(7-16-19)9-17(3)14(21)5-6-18-10-13(8-15-18)20(22)23/h7-8,10H,4-6,9H2,1-3H3.
What are the key properties of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-3-(4-nitropyrazol-1-yl)propanamide?
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-3-(4-nitropyrazol-1-yl)propanamide has a molecular weight of 320.35 g/mol, XLogP of 1.36, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-3-(4-nitropyrazol-1-yl)propanamide is sourced from PubChem (CID 19575645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).