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

C13H18N6O3 — CID 19538770

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-2-(5-methyl-3-nitropyrazol-1-yl)propanamide
SMILESCCn1cc(CNC(=O)C(C)n2nc([N+](=O)[O-])cc2C)cn1
InChIInChI=1S/C13H18N6O3/c1-4-17-8-11(7-15-17)6-14-13(20)10(3)18-9(2)5-12(16-18)19(21)22/h5,7-8,10H,4,6H2,1-3H3,(H,14,20)
InChIKeyDKKMVKYJMBUIIQ-UHFFFAOYSA-N
MW306.33 g/mol
LogP1.19
Rot. Bonds6

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

N-[(1-ethylpyrazol-4-yl)methyl]-2-(5-methyl-3-nitropyrazol-1-yl)propanamide (PubChem CID 19538770) has the molecular formula C13H18N6O3 and a molecular weight of 306.33 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-2-(5-methyl-3-nitropyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-2-(5-methyl-3-nitropyrazol-1-yl)propanamide
PubChem CID19538770
Molecular FormulaC13H18N6O3
Molecular Weight306.33 g/mol
Exact Mass306.14
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-2-(5-methyl-3-nitropyrazol-1-yl)propanamide
SMILESCCn1cc(CNC(=O)C(C)n2nc([N+](=O)[O-])cc2C)cn1
InChIInChI=1S/C13H18N6O3/c1-4-17-8-11(7-15-17)6-14-13(20)10(3)18-9(2)5-12(16-18)19(21)22/h5,7-8,10H,4,6H2,1-3H3,(H,14,20)
InChIKeyDKKMVKYJMBUIIQ-UHFFFAOYSA-N
XLogP1.19
TPSA107.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 51.19
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

N-ethyl-2-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 19538960
N-[(1-ethylpyrazol-4-yl)methyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19534690
N-(2-hydroxyethyl)-2-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 19538763
2-(5-methyl-3-nitropyrazol-1-yl)propanehydrazide
CID 17024630
2-(5-methyl-3-nitropyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide
CID 19283262
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 19538903
N-[1-(2-ethylpyrazol-3-yl)ethyl]-2-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 19538936
N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 19538762
2-(5-methyl-3-nitropyrazol-1-yl)-N-[1-(4-methylphenyl)propyl]propanamide
CID 19538791
2-(5-methyl-3-nitropyrazol-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propanamide
CID 19538883
N-(2,6-dimethylphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 19538729
N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-2-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 19538944

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-2-(5-methyl-3-nitropyrazol-1-yl)propanamide?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-2-(5-methyl-3-nitropyrazol-1-yl)propanamide (CID 19538770) is N-[(1-ethylpyrazol-4-yl)methyl]-2-(5-methyl-3-nitropyrazol-1-yl)propanamide.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-2-(5-methyl-3-nitropyrazol-1-yl)propanamide?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-2-(5-methyl-3-nitropyrazol-1-yl)propanamide is CCn1cc(CNC(=O)C(C)n2nc([N+](=O)[O-])cc2C)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-2-(5-methyl-3-nitropyrazol-1-yl)propanamide?
The InChIKey is DKKMVKYJMBUIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O3/c1-4-17-8-11(7-15-17)6-14-13(20)10(3)18-9(2)5-12(16-18)19(21)22/h5,7-8,10H,4,6H2,1-3H3,(H,14,20).
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-2-(5-methyl-3-nitropyrazol-1-yl)propanamide?
N-[(1-ethylpyrazol-4-yl)methyl]-2-(5-methyl-3-nitropyrazol-1-yl)propanamide has a molecular weight of 306.33 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]-2-(5-methyl-3-nitropyrazol-1-yl)propanamide is sourced from PubChem (CID 19538770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).