N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-1,3-dimethyl-4-nitropyrazol-5-amine

C14H25N5O3 — CID 60501092

IUPACN-[3-(2,6-dimethylmorpholin-4-yl)propyl]-1,3-dimethyl-4-nitropyrazol-5-amine
SMILESCc1nn(C)c(NCCCN2CC(C)OC(C)C2)c1[N+](=O)[O-]
InChIInChI=1S/C14H25N5O3/c1-10-8-18(9-11(2)22-10)7-5-6-15-14-13(19(20)21)12(3)16-17(14)4/h10-11,15H,5-9H2,1-4H3
InChIKeySVILUDKIEIQYDL-UHFFFAOYSA-N
MW311.39 g/mol
LogP1.55
Rot. Bonds6

About N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-1,3-dimethyl-4-nitropyrazol-5-amine

N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-1,3-dimethyl-4-nitropyrazol-5-amine (PubChem CID 60501092) has the molecular formula C14H25N5O3 and a molecular weight of 311.39 g/mol. Its IUPAC name is N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-1,3-dimethyl-4-nitropyrazol-5-amine.

Molecular Properties

Compound NameN-[3-(2,6-dimethylmorpholin-4-yl)propyl]-1,3-dimethyl-4-nitropyrazol-5-amine
PubChem CID60501092
Molecular FormulaC14H25N5O3
Molecular Weight311.39 g/mol
Exact Mass311.20
IUPAC NameN-[3-(2,6-dimethylmorpholin-4-yl)propyl]-1,3-dimethyl-4-nitropyrazol-5-amine
SMILESCc1nn(C)c(NCCCN2CC(C)OC(C)C2)c1[N+](=O)[O-]
InChIInChI=1S/C14H25N5O3/c1-10-8-18(9-11(2)22-10)7-5-6-15-14-13(19(20)21)12(3)16-17(14)4/h10-11,15H,5-9H2,1-4H3
InChIKeySVILUDKIEIQYDL-UHFFFAOYSA-N
XLogP1.55
TPSA85.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-1,3-dimethyl-4-nitropyrazol-5-amine?
The IUPAC name of N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-1,3-dimethyl-4-nitropyrazol-5-amine (CID 60501092) is N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-1,3-dimethyl-4-nitropyrazol-5-amine.
What is the SMILES notation for N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-1,3-dimethyl-4-nitropyrazol-5-amine?
The canonical SMILES for N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-1,3-dimethyl-4-nitropyrazol-5-amine is Cc1nn(C)c(NCCCN2CC(C)OC(C)C2)c1[N+](=O)[O-].
What is the InChIKey of N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-1,3-dimethyl-4-nitropyrazol-5-amine?
The InChIKey is SVILUDKIEIQYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O3/c1-10-8-18(9-11(2)22-10)7-5-6-15-14-13(19(20)21)12(3)16-17(14)4/h10-11,15H,5-9H2,1-4H3.
What are the key properties of N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-1,3-dimethyl-4-nitropyrazol-5-amine?
N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-1,3-dimethyl-4-nitropyrazol-5-amine has a molecular weight of 311.39 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-1,3-dimethyl-4-nitropyrazol-5-amine is sourced from PubChem (CID 60501092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).