N-[3-(diethylamino)propyl]-2-(4-nitropyrazol-1-yl)butanamide

C14H25N5O3 — CID 19551809

IUPACN-[3-(diethylamino)propyl]-2-(4-nitropyrazol-1-yl)butanamide
SMILESCCC(C(=O)NCCCN(CC)CC)n1cc([N+](=O)[O-])cn1
InChIInChI=1S/C14H25N5O3/c1-4-13(18-11-12(10-16-18)19(21)22)14(20)15-8-7-9-17(5-2)6-3/h10-11,13H,4-9H2,1-3H3,(H,15,20)
InChIKeyRANIMHTZZSFISU-UHFFFAOYSA-N
MW311.39 g/mol
LogP1.59
Rot. Bonds10

About N-[3-(diethylamino)propyl]-2-(4-nitropyrazol-1-yl)butanamide

N-[3-(diethylamino)propyl]-2-(4-nitropyrazol-1-yl)butanamide (PubChem CID 19551809) has the molecular formula C14H25N5O3 and a molecular weight of 311.39 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-2-(4-nitropyrazol-1-yl)butanamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-2-(4-nitropyrazol-1-yl)butanamide
PubChem CID19551809
Molecular FormulaC14H25N5O3
Molecular Weight311.39 g/mol
Exact Mass311.20
IUPAC NameN-[3-(diethylamino)propyl]-2-(4-nitropyrazol-1-yl)butanamide
SMILESCCC(C(=O)NCCCN(CC)CC)n1cc([N+](=O)[O-])cn1
InChIInChI=1S/C14H25N5O3/c1-4-13(18-11-12(10-16-18)19(21)22)14(20)15-8-7-9-17(5-2)6-3/h10-11,13H,4-9H2,1-3H3,(H,15,20)
InChIKeyRANIMHTZZSFISU-UHFFFAOYSA-N
XLogP1.59
TPSA93.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.59
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

N-[3-(dimethylamino)propyl]-2-(4-nitropyrazol-1-yl)propanamide
CID 19528820
(2R)-2-(4-nitropyrazol-1-yl)butanoic acid
CID 7017284
2-(4-nitropyrazol-1-yl)butanamide
CID 62901815
N-ethyl-2-(4-nitropyrazol-1-yl)propanamide
CID 19534268
2-(4-nitropyrazol-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)butanamide
CID 19393588
N-(2-hydroxyphenyl)-2-(4-nitropyrazol-1-yl)butanamide
CID 19551533
2-(4-nitropyrazol-1-yl)-N-(2-sulfanylethyl)propanamide
CID 19528811
2-(4-chloropyrazol-1-yl)-N-[3-(dimethylamino)propyl]butanamide
CID 19536837
N-butan-2-yl-2-(4-nitropyrazol-1-yl)propanamide
CID 19528821
methyl 1-ethyl-4-[2-(4-nitropyrazol-1-yl)butanoylamino]pyrazole-3-carboxylate
CID 19551776
N-[3-(diethylamino)propyl]-4-nitrobenzamide
CID 3278137
N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(4-nitropyrazol-1-yl)butanamide
CID 19551831

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-2-(4-nitropyrazol-1-yl)butanamide?
The IUPAC name of N-[3-(diethylamino)propyl]-2-(4-nitropyrazol-1-yl)butanamide (CID 19551809) is N-[3-(diethylamino)propyl]-2-(4-nitropyrazol-1-yl)butanamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-2-(4-nitropyrazol-1-yl)butanamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-2-(4-nitropyrazol-1-yl)butanamide is CCC(C(=O)NCCCN(CC)CC)n1cc([N+](=O)[O-])cn1.
What is the InChIKey of N-[3-(diethylamino)propyl]-2-(4-nitropyrazol-1-yl)butanamide?
The InChIKey is RANIMHTZZSFISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O3/c1-4-13(18-11-12(10-16-18)19(21)22)14(20)15-8-7-9-17(5-2)6-3/h10-11,13H,4-9H2,1-3H3,(H,15,20).
What are the key properties of N-[3-(diethylamino)propyl]-2-(4-nitropyrazol-1-yl)butanamide?
N-[3-(diethylamino)propyl]-2-(4-nitropyrazol-1-yl)butanamide has a molecular weight of 311.39 g/mol, XLogP of 1.59, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-2-(4-nitropyrazol-1-yl)butanamide is sourced from PubChem (CID 19551809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).