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

C13H18N6O3 — CID 19294610

IUPACN-[(2-ethylpyrazol-3-yl)methyl]-3-(3-methyl-4-nitropyrazol-1-yl)propanamide
SMILESCCn1nccc1CNC(=O)CCn1cc([N+](=O)[O-])c(C)n1
InChIInChI=1S/C13H18N6O3/c1-3-18-11(4-6-15-18)8-14-13(20)5-7-17-9-12(19(21)22)10(2)16-17/h4,6,9H,3,5,7-8H2,1-2H3,(H,14,20)
InChIKeyMKOXIKQNOFGJOL-UHFFFAOYSA-N
MW306.33 g/mol
LogP1.02
Rot. Bonds7

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

N-[(2-ethylpyrazol-3-yl)methyl]-3-(3-methyl-4-nitropyrazol-1-yl)propanamide (PubChem CID 19294610) has the molecular formula C13H18N6O3 and a molecular weight of 306.33 g/mol. Its IUPAC name is N-[(2-ethylpyrazol-3-yl)methyl]-3-(3-methyl-4-nitropyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(2-ethylpyrazol-3-yl)methyl]-3-(3-methyl-4-nitropyrazol-1-yl)propanamide
PubChem CID19294610
Molecular FormulaC13H18N6O3
Molecular Weight306.33 g/mol
Exact Mass306.14
IUPAC NameN-[(2-ethylpyrazol-3-yl)methyl]-3-(3-methyl-4-nitropyrazol-1-yl)propanamide
SMILESCCn1nccc1CNC(=O)CCn1cc([N+](=O)[O-])c(C)n1
InChIInChI=1S/C13H18N6O3/c1-3-18-11(4-6-15-18)8-14-13(20)5-7-17-9-12(19(21)22)10(2)16-17/h4,6,9H,3,5,7-8H2,1-2H3,(H,14,20)
InChIKeyMKOXIKQNOFGJOL-UHFFFAOYSA-N
XLogP1.02
TPSA107.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 51.02
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-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-3-(3-methyl-4-nitropyrazol-1-yl)propanamide
CID 19331359
3-(3-methyl-4-nitropyrazol-1-yl)-N-propylpropanamide
CID 19539837
3-(4-bromopyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]propanamide
CID 19294580
N-methyl-3-(3-methyl-4-nitropyrazol-1-yl)propanamide
CID 19539994
3-(3-methyl-4-nitropyrazol-1-yl)propanehydrazide
CID 7018422
3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]propanamide
CID 19557805
3-(3-methyl-4-nitropyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide
CID 19283158
N-(2-methoxy-5-methylphenyl)-3-(3-methyl-4-nitropyrazol-1-yl)propanamide
CID 19539774
N-(3-chloro-2-methylphenyl)-3-(3-methyl-4-nitropyrazol-1-yl)propanamide
CID 19539727
N-cyclopentyl-3-(3-methyl-4-nitropyrazol-1-yl)propanamide
CID 19539729
1-ethyl-4-[3-(3-methyl-4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide
CID 19539887
1-ethyl-N-methyl-4-[3-(3-methyl-4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide
CID 19539981

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-3-(3-methyl-4-nitropyrazol-1-yl)propanamide?
The IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-3-(3-methyl-4-nitropyrazol-1-yl)propanamide (CID 19294610) is N-[(2-ethylpyrazol-3-yl)methyl]-3-(3-methyl-4-nitropyrazol-1-yl)propanamide.
What is the SMILES notation for N-[(2-ethylpyrazol-3-yl)methyl]-3-(3-methyl-4-nitropyrazol-1-yl)propanamide?
The canonical SMILES for N-[(2-ethylpyrazol-3-yl)methyl]-3-(3-methyl-4-nitropyrazol-1-yl)propanamide is CCn1nccc1CNC(=O)CCn1cc([N+](=O)[O-])c(C)n1.
What is the InChIKey of N-[(2-ethylpyrazol-3-yl)methyl]-3-(3-methyl-4-nitropyrazol-1-yl)propanamide?
The InChIKey is MKOXIKQNOFGJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O3/c1-3-18-11(4-6-15-18)8-14-13(20)5-7-17-9-12(19(21)22)10(2)16-17/h4,6,9H,3,5,7-8H2,1-2H3,(H,14,20).
What are the key properties of N-[(2-ethylpyrazol-3-yl)methyl]-3-(3-methyl-4-nitropyrazol-1-yl)propanamide?
N-[(2-ethylpyrazol-3-yl)methyl]-3-(3-methyl-4-nitropyrazol-1-yl)propanamide has a molecular weight of 306.33 g/mol, XLogP of 1.02, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylpyrazol-3-yl)methyl]-3-(3-methyl-4-nitropyrazol-1-yl)propanamide is sourced from PubChem (CID 19294610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).