N-methyl-2-(5-methyl-4-nitropyrazol-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]propanamide

C13H18N6O3 — CID 19536080

IUPACN-methyl-2-(5-methyl-4-nitropyrazol-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]propanamide
SMILESCc1c([N+](=O)[O-])cnn1C(C)C(=O)N(C)Cc1ccnn1C
InChIInChI=1S/C13H18N6O3/c1-9-12(19(21)22)7-15-18(9)10(2)13(20)16(3)8-11-5-6-14-17(11)4/h5-7,10H,8H2,1-4H3
InChIKeyZAUNGYJDELEUHI-UHFFFAOYSA-N
MW306.33 g/mol
LogP1.05
Rot. Bonds5

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

N-methyl-2-(5-methyl-4-nitropyrazol-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]propanamide (PubChem CID 19536080) has the molecular formula C13H18N6O3 and a molecular weight of 306.33 g/mol. Its IUPAC name is N-methyl-2-(5-methyl-4-nitropyrazol-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]propanamide.

Molecular Properties

Compound NameN-methyl-2-(5-methyl-4-nitropyrazol-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]propanamide
PubChem CID19536080
Molecular FormulaC13H18N6O3
Molecular Weight306.33 g/mol
Exact Mass306.14
IUPAC NameN-methyl-2-(5-methyl-4-nitropyrazol-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]propanamide
SMILESCc1c([N+](=O)[O-])cnn1C(C)C(=O)N(C)Cc1ccnn1C
InChIInChI=1S/C13H18N6O3/c1-9-12(19(21)22)7-15-18(9)10(2)13(20)16(3)8-11-5-6-14-17(11)4/h5-7,10H,8H2,1-4H3
InChIKeyZAUNGYJDELEUHI-UHFFFAOYSA-N
XLogP1.05
TPSA99.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 51.05
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

2-(3-methoxy-4-nitropyrazol-1-yl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]propanamide
CID 19535952
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N-methyl-2-(5-methyl-4-nitropyrazol-1-yl)propanamide
CID 19536077
N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-2-nitrobenzamide
CID 19458164
2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 19531250
2-(5-methyl-4-nitropyrazol-1-yl)-N-[3-(5-methylpyrazol-1-yl)propyl]propanamide
CID 19539197
2-(1,3-dimethylpyrazolo[4,3-c]pyrazol-5-yl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]propanamide
CID 56686259
2-(5-methyl-4-nitropyrazol-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 19393595
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N,2-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]propanamide
CID 19540198
2-chloro-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 19619342
N-(3-methoxypropyl)-2-(5-methyl-4-nitropyrazol-1-yl)propanamide
CID 19539270
1-(difluoromethyl)-5-methyl-4-nitropyrazole
CID 50896628
N-methyl-5-[(4-methyl-2-nitrophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]furan-2-carboxamide
CID 4865546

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(5-methyl-4-nitropyrazol-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]propanamide?
The IUPAC name of N-methyl-2-(5-methyl-4-nitropyrazol-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]propanamide (CID 19536080) is N-methyl-2-(5-methyl-4-nitropyrazol-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]propanamide.
What is the SMILES notation for N-methyl-2-(5-methyl-4-nitropyrazol-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]propanamide?
The canonical SMILES for N-methyl-2-(5-methyl-4-nitropyrazol-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]propanamide is Cc1c([N+](=O)[O-])cnn1C(C)C(=O)N(C)Cc1ccnn1C.
What is the InChIKey of N-methyl-2-(5-methyl-4-nitropyrazol-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]propanamide?
The InChIKey is ZAUNGYJDELEUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O3/c1-9-12(19(21)22)7-15-18(9)10(2)13(20)16(3)8-11-5-6-14-17(11)4/h5-7,10H,8H2,1-4H3.
What are the key properties of N-methyl-2-(5-methyl-4-nitropyrazol-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]propanamide?
N-methyl-2-(5-methyl-4-nitropyrazol-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]propanamide has a molecular weight of 306.33 g/mol, XLogP of 1.05, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(5-methyl-4-nitropyrazol-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]propanamide is sourced from PubChem (CID 19536080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).