N-[3-(dimethylamino)propyl]-1,5-dimethyl-4-nitropyrazole-3-carboxamide

C11H19N5O3 — CID 19266489

IUPACN-[3-(dimethylamino)propyl]-1,5-dimethyl-4-nitropyrazole-3-carboxamide
SMILESCc1c([N+](=O)[O-])c(C(=O)NCCCN(C)C)nn1C
InChIInChI=1S/C11H19N5O3/c1-8-10(16(18)19)9(13-15(8)4)11(17)12-6-5-7-14(2)3/h5-7H2,1-4H3,(H,12,17)
InChIKeyLZKPHXLIKJRESJ-UHFFFAOYSA-N
MW269.30 g/mol
LogP0.32
Rot. Bonds6

About N-[3-(dimethylamino)propyl]-1,5-dimethyl-4-nitropyrazole-3-carboxamide

N-[3-(dimethylamino)propyl]-1,5-dimethyl-4-nitropyrazole-3-carboxamide (PubChem CID 19266489) has the molecular formula C11H19N5O3 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-1,5-dimethyl-4-nitropyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-1,5-dimethyl-4-nitropyrazole-3-carboxamide
PubChem CID19266489
Molecular FormulaC11H19N5O3
Molecular Weight269.30 g/mol
Exact Mass269.15
IUPAC NameN-[3-(dimethylamino)propyl]-1,5-dimethyl-4-nitropyrazole-3-carboxamide
SMILESCc1c([N+](=O)[O-])c(C(=O)NCCCN(C)C)nn1C
InChIInChI=1S/C11H19N5O3/c1-8-10(16(18)19)9(13-15(8)4)11(17)12-6-5-7-14(2)3/h5-7H2,1-4H3,(H,12,17)
InChIKeyLZKPHXLIKJRESJ-UHFFFAOYSA-N
XLogP0.32
TPSA93.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,5-dimethyl-N-(3-morpholin-4-ylpropyl)-4-nitropyrazole-3-carboxamide
CID 19266451
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-1,5-dimethyl-4-nitropyrazole-3-carboxamide
CID 19266535
N-[(2,5-dimethylpyrazol-3-yl)methyl]-1,5-dimethyl-4-nitropyrazole-3-carboxamide
CID 19292744
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-1,5-dimethyl-4-nitropyrazole-3-carboxamide
CID 19322734
1,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-4-nitropyrazole-3-carboxamide
CID 19266472
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,5-dimethyl-4-nitropyrazole-3-carboxamide
CID 19266452
N-butyl-1,3-dimethyl-4-nitropyrazole-5-carboxamide
CID 19480862
N-[3-(dimethylamino)propyl]-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 82585476
N-[3-(dimethylamino)propyl]-5-methyl-2H-triazole-4-carboxamide
CID 110691640
N-[3-(dimethylamino)propyl]-1-ethyl-4-nitropyrazole-5-carboxamide
CID 19476403
1,5-dimethyl-4-nitro-N-(2-nitrophenyl)pyrazole-3-carboxamide
CID 19266528
2-[(1,5-dimethyl-4-nitropyrazol-3-yl)amino]ethanol
CID 3591302

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-1,5-dimethyl-4-nitropyrazole-3-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-1,5-dimethyl-4-nitropyrazole-3-carboxamide (CID 19266489) is N-[3-(dimethylamino)propyl]-1,5-dimethyl-4-nitropyrazole-3-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-1,5-dimethyl-4-nitropyrazole-3-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-1,5-dimethyl-4-nitropyrazole-3-carboxamide is Cc1c([N+](=O)[O-])c(C(=O)NCCCN(C)C)nn1C.
What is the InChIKey of N-[3-(dimethylamino)propyl]-1,5-dimethyl-4-nitropyrazole-3-carboxamide?
The InChIKey is LZKPHXLIKJRESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3/c1-8-10(16(18)19)9(13-15(8)4)11(17)12-6-5-7-14(2)3/h5-7H2,1-4H3,(H,12,17).
What are the key properties of N-[3-(dimethylamino)propyl]-1,5-dimethyl-4-nitropyrazole-3-carboxamide?
N-[3-(dimethylamino)propyl]-1,5-dimethyl-4-nitropyrazole-3-carboxamide has a molecular weight of 269.30 g/mol, XLogP of 0.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-1,5-dimethyl-4-nitropyrazole-3-carboxamide is sourced from PubChem (CID 19266489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).