2-(4-chloropyrazol-1-yl)-2-methyl-N-[2-(4-nitropyrazol-1-yl)ethyl]propanamide

C12H15ClN6O3 — CID 19281860

IUPAC2-(4-chloropyrazol-1-yl)-2-methyl-N-[2-(4-nitropyrazol-1-yl)ethyl]propanamide
SMILESCC(C)(C(=O)NCCn1cc([N+](=O)[O-])cn1)n1cc(Cl)cn1
InChIInChI=1S/C12H15ClN6O3/c1-12(2,18-7-9(13)5-16-18)11(20)14-3-4-17-8-10(6-15-17)19(21)22/h5-8H,3-4H2,1-2H3,(H,14,20)
InChIKeyQQBRYDSPOGVIEN-UHFFFAOYSA-N
MW326.74 g/mol
LogP1.19
Rot. Bonds6

About 2-(4-chloropyrazol-1-yl)-2-methyl-N-[2-(4-nitropyrazol-1-yl)ethyl]propanamide

2-(4-chloropyrazol-1-yl)-2-methyl-N-[2-(4-nitropyrazol-1-yl)ethyl]propanamide (PubChem CID 19281860) has the molecular formula C12H15ClN6O3 and a molecular weight of 326.74 g/mol. Its IUPAC name is 2-(4-chloropyrazol-1-yl)-2-methyl-N-[2-(4-nitropyrazol-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-(4-chloropyrazol-1-yl)-2-methyl-N-[2-(4-nitropyrazol-1-yl)ethyl]propanamide
PubChem CID19281860
Molecular FormulaC12H15ClN6O3
Molecular Weight326.74 g/mol
Exact Mass326.09
IUPAC Name2-(4-chloropyrazol-1-yl)-2-methyl-N-[2-(4-nitropyrazol-1-yl)ethyl]propanamide
SMILESCC(C)(C(=O)NCCn1cc([N+](=O)[O-])cn1)n1cc(Cl)cn1
InChIInChI=1S/C12H15ClN6O3/c1-12(2,18-7-9(13)5-16-18)11(20)14-3-4-17-8-10(6-15-17)19(21)22/h5-8H,3-4H2,1-2H3,(H,14,20)
InChIKeyQQBRYDSPOGVIEN-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 ≤ 500326.74
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

2-(4-chloropyrazol-1-yl)-N-[2-(4-nitropyrazol-1-yl)ethyl]acetamide
CID 19281846
N-[2-(4-chloropyrazol-1-yl)ethyl]-5-methyl-4-[(4-nitropyrazol-1-yl)methyl]-1,2-oxazole-3-carboxamide
CID 19588620
4-chloro-N-[2-(4-nitropyrazol-1-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 19574664
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methyl-2-(4-nitropyrazol-1-yl)propanamide
CID 19571772
3,4-dimethyl-N-[2-(4-nitropyrazol-1-yl)ethyl]benzamide
CID 19281829
4-chloro-3-nitro-N-[2-(4-nitropyrazol-1-yl)ethyl]benzamide
CID 19281902
2-(4-chloropyrazol-1-yl)-2-methyl-N-[3-(5-methylpyrazol-1-yl)propyl]propanamide
CID 19327891
2-methyl-2-[4-[[2-(4-nitropyrazol-1-yl)acetyl]amino]pyrazol-1-yl]propanoic acid
CID 120697013
2-methyl-2-[4-[[2-methyl-2-(4-nitropyrazol-1-yl)propanoyl]amino]pyrazol-1-yl]propanoic acid
CID 120697796
N-[2-(4-nitropyrazol-1-yl)ethyl]-4-phenylbenzamide
CID 19281844
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(4-nitropyrazol-1-yl)ethyl]propanamide
CID 19281768
methyl 3-(4-nitropyrazol-1-yl)propanoate
CID 4184227

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloropyrazol-1-yl)-2-methyl-N-[2-(4-nitropyrazol-1-yl)ethyl]propanamide?
The IUPAC name of 2-(4-chloropyrazol-1-yl)-2-methyl-N-[2-(4-nitropyrazol-1-yl)ethyl]propanamide (CID 19281860) is 2-(4-chloropyrazol-1-yl)-2-methyl-N-[2-(4-nitropyrazol-1-yl)ethyl]propanamide.
What is the SMILES notation for 2-(4-chloropyrazol-1-yl)-2-methyl-N-[2-(4-nitropyrazol-1-yl)ethyl]propanamide?
The canonical SMILES for 2-(4-chloropyrazol-1-yl)-2-methyl-N-[2-(4-nitropyrazol-1-yl)ethyl]propanamide is CC(C)(C(=O)NCCn1cc([N+](=O)[O-])cn1)n1cc(Cl)cn1.
What is the InChIKey of 2-(4-chloropyrazol-1-yl)-2-methyl-N-[2-(4-nitropyrazol-1-yl)ethyl]propanamide?
The InChIKey is QQBRYDSPOGVIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN6O3/c1-12(2,18-7-9(13)5-16-18)11(20)14-3-4-17-8-10(6-15-17)19(21)22/h5-8H,3-4H2,1-2H3,(H,14,20).
What are the key properties of 2-(4-chloropyrazol-1-yl)-2-methyl-N-[2-(4-nitropyrazol-1-yl)ethyl]propanamide?
2-(4-chloropyrazol-1-yl)-2-methyl-N-[2-(4-nitropyrazol-1-yl)ethyl]propanamide has a molecular weight of 326.74 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 2-(4-chloropyrazol-1-yl)-2-methyl-N-[2-(4-nitropyrazol-1-yl)ethyl]propanamide is sourced from PubChem (CID 19281860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).