N-(3-amino-4-methylpentyl)-N,2-dimethyl-2-(4-nitropyrazol-1-yl)propanamide

C14H25N5O3 — CID 119661321

IUPACN-(3-amino-4-methylpentyl)-N,2-dimethyl-2-(4-nitropyrazol-1-yl)propanamide
SMILESCC(C)C(N)CCN(C)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1
InChIInChI=1S/C14H25N5O3/c1-10(2)12(15)6-7-17(5)13(20)14(3,4)18-9-11(8-16-18)19(21)22/h8-10,12H,6-7,15H2,1-5H3
InChIKeyNHEYCCPWUXZKRK-UHFFFAOYSA-N
MW311.39 g/mol
LogP1.36
Rot. Bonds7

About N-(3-amino-4-methylpentyl)-N,2-dimethyl-2-(4-nitropyrazol-1-yl)propanamide

N-(3-amino-4-methylpentyl)-N,2-dimethyl-2-(4-nitropyrazol-1-yl)propanamide (PubChem CID 119661321) has the molecular formula C14H25N5O3 and a molecular weight of 311.39 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-N,2-dimethyl-2-(4-nitropyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-N,2-dimethyl-2-(4-nitropyrazol-1-yl)propanamide
PubChem CID119661321
Molecular FormulaC14H25N5O3
Molecular Weight311.39 g/mol
Exact Mass311.20
IUPAC NameN-(3-amino-4-methylpentyl)-N,2-dimethyl-2-(4-nitropyrazol-1-yl)propanamide
SMILESCC(C)C(N)CCN(C)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1
InChIInChI=1S/C14H25N5O3/c1-10(2)12(15)6-7-17(5)13(20)14(3,4)18-9-11(8-16-18)19(21)22/h8-10,12H,6-7,15H2,1-5H3
InChIKeyNHEYCCPWUXZKRK-UHFFFAOYSA-N
XLogP1.36
TPSA107.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.36
H-Bond Donors ≤ 51
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-(3-amino-4-methylpentyl)-N-methyl-2-(4-nitropyrazol-1-yl)acetamide
CID 119658585
ethyl 2-methyl-2-(4-nitropyrazol-1-yl)propanoate
CID 4773128
methyl 2-methyl-2-(4-nitropyrazol-1-yl)propanoate
CID 124527649
(2S)-2-[[2-methyl-2-(4-nitropyrazol-1-yl)propanoyl]amino]propanoic acid
CID 119238416
N-(3-amino-4-methylpentyl)-N,2,2-trimethylbutanamide
CID 81484329
N-(3-amino-4-methylpentyl)-N-methyl-4-(4-nitroanilino)butanamide
CID 119660058
1-cyclopropylethyl 2-methyl-2-(4-nitropyrazol-1-yl)propanoate
CID 75395080
(2R)-4-methyl-2-[[2-methyl-2-(4-nitropyrazol-1-yl)propanoyl]amino]pentanoic acid
CID 119364109
N-(3-amino-4-methylpentyl)-2,2,2-trifluoro-N-methylacetamide
CID 81483985
N-(3-amino-4-methylpentyl)-N-methyl-6-nitro-2-oxo-1H-quinoline-4-carboxamide
CID 119660307
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N,2-dimethyl-2-(4-nitropyrazol-1-yl)propanamide
CID 86881317
2-methyl-2-[4-[[2-methyl-2-(4-nitropyrazol-1-yl)propanoyl]amino]pyrazol-1-yl]propanoic acid
CID 120697796

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-N,2-dimethyl-2-(4-nitropyrazol-1-yl)propanamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-N,2-dimethyl-2-(4-nitropyrazol-1-yl)propanamide (CID 119661321) is N-(3-amino-4-methylpentyl)-N,2-dimethyl-2-(4-nitropyrazol-1-yl)propanamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-N,2-dimethyl-2-(4-nitropyrazol-1-yl)propanamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-N,2-dimethyl-2-(4-nitropyrazol-1-yl)propanamide is CC(C)C(N)CCN(C)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1.
What is the InChIKey of N-(3-amino-4-methylpentyl)-N,2-dimethyl-2-(4-nitropyrazol-1-yl)propanamide?
The InChIKey is NHEYCCPWUXZKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O3/c1-10(2)12(15)6-7-17(5)13(20)14(3,4)18-9-11(8-16-18)19(21)22/h8-10,12H,6-7,15H2,1-5H3.
What are the key properties of N-(3-amino-4-methylpentyl)-N,2-dimethyl-2-(4-nitropyrazol-1-yl)propanamide?
N-(3-amino-4-methylpentyl)-N,2-dimethyl-2-(4-nitropyrazol-1-yl)propanamide has a molecular weight of 311.39 g/mol, XLogP of 1.36, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-N,2-dimethyl-2-(4-nitropyrazol-1-yl)propanamide is sourced from PubChem (CID 119661321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).