N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(3-methyl-4-nitropyrazol-1-yl)propanamide

C14H20N6O3 — CID 19469043

IUPACN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(3-methyl-4-nitropyrazol-1-yl)propanamide
SMILESCc1nn(C(C)C(=O)NC(C)c2cnn(C)c2C)cc1[N+](=O)[O-]
InChIInChI=1S/C14H20N6O3/c1-8(12-6-15-18(5)10(12)3)16-14(21)11(4)19-7-13(20(22)23)9(2)17-19/h6-8,11H,1-5H3,(H,16,21)
InChIKeyNFEMOVLTHFLNEC-UHFFFAOYSA-N
MW320.35 g/mol
LogP1.58
Rot. Bonds5

About N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(3-methyl-4-nitropyrazol-1-yl)propanamide

N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(3-methyl-4-nitropyrazol-1-yl)propanamide (PubChem CID 19469043) has the molecular formula C14H20N6O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(3-methyl-4-nitropyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(3-methyl-4-nitropyrazol-1-yl)propanamide
PubChem CID19469043
Molecular FormulaC14H20N6O3
Molecular Weight320.35 g/mol
Exact Mass320.16
IUPAC NameN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(3-methyl-4-nitropyrazol-1-yl)propanamide
SMILESCc1nn(C(C)C(=O)NC(C)c2cnn(C)c2C)cc1[N+](=O)[O-]
InChIInChI=1S/C14H20N6O3/c1-8(12-6-15-18(5)10(12)3)16-14(21)11(4)19-7-13(20(22)23)9(2)17-19/h6-8,11H,1-5H3,(H,16,21)
InChIKeyNFEMOVLTHFLNEC-UHFFFAOYSA-N
XLogP1.58
TPSA107.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 51.58
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-(3-methyl-4-nitropyrazol-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 19393506
(2R)-2-(3-methyl-4-nitropyrazol-1-yl)propanehydrazide
CID 7018442
methyl 1-methyl-4-[2-(3-methyl-4-nitropyrazol-1-yl)propanoylamino]pyrazole-5-carboxylate
CID 19342217
2-(3-methyl-4-nitropyrazol-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 19533089
N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(2-nitrophenyl)acetamide
CID 2225443
2-(3-methyl-4-nitropyrazol-1-yl)-N-[1-(4-pyrrol-1-ylphenyl)ethyl]propanamide
CID 19533179
2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]propanamide
CID 19533467
(2R)-N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(3-methyl-4-nitropyrazol-1-yl)propanamide
CID 98331541
3-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylbutanamide
CID 113416098
N-(2,6-dichlorophenyl)-2-(3-methyl-4-nitropyrazol-1-yl)propanamide
CID 19533024
N,1-dimethyl-4-[2-(3-methyl-4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide
CID 19533250
2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methylbutanamide;hydrochloride
CID 119293160

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(3-methyl-4-nitropyrazol-1-yl)propanamide?
The IUPAC name of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(3-methyl-4-nitropyrazol-1-yl)propanamide (CID 19469043) is N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(3-methyl-4-nitropyrazol-1-yl)propanamide.
What is the SMILES notation for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(3-methyl-4-nitropyrazol-1-yl)propanamide?
The canonical SMILES for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(3-methyl-4-nitropyrazol-1-yl)propanamide is Cc1nn(C(C)C(=O)NC(C)c2cnn(C)c2C)cc1[N+](=O)[O-].
What is the InChIKey of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(3-methyl-4-nitropyrazol-1-yl)propanamide?
The InChIKey is NFEMOVLTHFLNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O3/c1-8(12-6-15-18(5)10(12)3)16-14(21)11(4)19-7-13(20(22)23)9(2)17-19/h6-8,11H,1-5H3,(H,16,21).
What are the key properties of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(3-methyl-4-nitropyrazol-1-yl)propanamide?
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(3-methyl-4-nitropyrazol-1-yl)propanamide has a molecular weight of 320.35 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(3-methyl-4-nitropyrazol-1-yl)propanamide is sourced from PubChem (CID 19469043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).