N,2,2-trimethyl-3-[(3-methyl-4-nitro-1-propylpyrazol-5-yl)amino]propanamide

C13H23N5O3 — CID 106278417

IUPACN,2,2-trimethyl-3-[(3-methyl-4-nitro-1-propylpyrazol-5-yl)amino]propanamide
SMILESCCCn1nc(C)c([N+](=O)[O-])c1NCC(C)(C)C(=O)NC
InChIInChI=1S/C13H23N5O3/c1-6-7-17-11(10(18(20)21)9(2)16-17)15-8-13(3,4)12(19)14-5/h15H,6-8H2,1-5H3,(H,14,19)
InChIKeyOEPDZIQTUUXTPO-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.69
Rot. Bonds7

About N,2,2-trimethyl-3-[(3-methyl-4-nitro-1-propylpyrazol-5-yl)amino]propanamide

N,2,2-trimethyl-3-[(3-methyl-4-nitro-1-propylpyrazol-5-yl)amino]propanamide (PubChem CID 106278417) has the molecular formula C13H23N5O3 and a molecular weight of 297.36 g/mol. Its IUPAC name is N,2,2-trimethyl-3-[(3-methyl-4-nitro-1-propylpyrazol-5-yl)amino]propanamide.

Molecular Properties

Compound NameN,2,2-trimethyl-3-[(3-methyl-4-nitro-1-propylpyrazol-5-yl)amino]propanamide
PubChem CID106278417
Molecular FormulaC13H23N5O3
Molecular Weight297.36 g/mol
Exact Mass297.18
IUPAC NameN,2,2-trimethyl-3-[(3-methyl-4-nitro-1-propylpyrazol-5-yl)amino]propanamide
SMILESCCCn1nc(C)c([N+](=O)[O-])c1NCC(C)(C)C(=O)NC
InChIInChI=1S/C13H23N5O3/c1-6-7-17-11(10(18(20)21)9(2)16-17)15-8-13(3,4)12(19)14-5/h15H,6-8H2,1-5H3,(H,14,19)
InChIKeyOEPDZIQTUUXTPO-UHFFFAOYSA-N
XLogP1.69
TPSA102.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-methyl-N'-(3-methyl-4-nitro-1-propylpyrazol-5-yl)ethane-1,2-diamine
CID 66028978
N-butyl-3-methyl-4-nitro-1-propylpyrazol-5-amine
CID 66013299
3-methyl-N-(3-methyl-2-propan-2-ylbutyl)-4-nitro-1-propylpyrazol-5-amine
CID 102914171
3-methyl-N-(2-methylpropyl)-4-nitro-1-propylpyrazol-5-amine
CID 66013105
N-(2,3-dimethylbutyl)-3-methyl-4-nitro-1-propylpyrazol-5-amine
CID 66029159
3-methyl-N-[(1-methylcyclopentyl)methyl]-4-nitro-1-propylpyrazol-5-amine
CID 66028385
2-ethyl-2-[(3-methyl-4-nitro-1-propylpyrazol-5-yl)amino]butan-1-ol
CID 66027030
N-benzyl-3-methyl-4-nitro-1-propylpyrazol-5-amine
CID 66013296
3-methyl-4-nitro-1-propyl-N-(2-pyrrolidin-1-ylethyl)pyrazol-5-amine
CID 66027801
N-(2-ethylhexyl)-3-methyl-4-nitro-1-propylpyrazol-5-amine
CID 107816609
3-[[(3-methyl-4-nitro-1-propylpyrazol-5-yl)amino]methyl]oxolan-3-ol
CID 106102031
N-ethyl-2-[(3-methyl-4-nitro-1-propylpyrazol-5-yl)amino]ethanesulfonamide
CID 106338169

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-3-[(3-methyl-4-nitro-1-propylpyrazol-5-yl)amino]propanamide?
The IUPAC name of N,2,2-trimethyl-3-[(3-methyl-4-nitro-1-propylpyrazol-5-yl)amino]propanamide (CID 106278417) is N,2,2-trimethyl-3-[(3-methyl-4-nitro-1-propylpyrazol-5-yl)amino]propanamide.
What is the SMILES notation for N,2,2-trimethyl-3-[(3-methyl-4-nitro-1-propylpyrazol-5-yl)amino]propanamide?
The canonical SMILES for N,2,2-trimethyl-3-[(3-methyl-4-nitro-1-propylpyrazol-5-yl)amino]propanamide is CCCn1nc(C)c([N+](=O)[O-])c1NCC(C)(C)C(=O)NC.
What is the InChIKey of N,2,2-trimethyl-3-[(3-methyl-4-nitro-1-propylpyrazol-5-yl)amino]propanamide?
The InChIKey is OEPDZIQTUUXTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O3/c1-6-7-17-11(10(18(20)21)9(2)16-17)15-8-13(3,4)12(19)14-5/h15H,6-8H2,1-5H3,(H,14,19).
What are the key properties of N,2,2-trimethyl-3-[(3-methyl-4-nitro-1-propylpyrazol-5-yl)amino]propanamide?
N,2,2-trimethyl-3-[(3-methyl-4-nitro-1-propylpyrazol-5-yl)amino]propanamide has a molecular weight of 297.36 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-3-[(3-methyl-4-nitro-1-propylpyrazol-5-yl)amino]propanamide is sourced from PubChem (CID 106278417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).