1-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-4-nitropyrazole-3-carboxamide

C14H25N5O7 — CID 138695018

IUPAC1-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-4-nitropyrazole-3-carboxamide
SMILESNCCOCCOCCOCCOCCn1cc([N+](=O)[O-])c(C(N)=O)n1
InChIInChI=1S/C14H25N5O7/c15-1-3-23-5-7-25-9-10-26-8-6-24-4-2-18-11-12(19(21)22)13(17-18)14(16)20/h11H,1-10,15H2,(H2,16,20)
InChIKeyLNAAMYABGDNVAJ-UHFFFAOYSA-N
MW375.38 g/mol
LogP-1.08
Rot. Bonds16

About 1-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-4-nitropyrazole-3-carboxamide

1-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-4-nitropyrazole-3-carboxamide (PubChem CID 138695018) has the molecular formula C14H25N5O7 and a molecular weight of 375.38 g/mol. Its IUPAC name is 1-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-4-nitropyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-4-nitropyrazole-3-carboxamide
PubChem CID138695018
Molecular FormulaC14H25N5O7
Molecular Weight375.38 g/mol
Exact Mass375.18
IUPAC Name1-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-4-nitropyrazole-3-carboxamide
SMILESNCCOCCOCCOCCOCCn1cc([N+](=O)[O-])c(C(N)=O)n1
InChIInChI=1S/C14H25N5O7/c15-1-3-23-5-7-25-9-10-26-8-6-24-4-2-18-11-12(19(21)22)13(17-18)14(16)20/h11H,1-10,15H2,(H2,16,20)
InChIKeyLNAAMYABGDNVAJ-UHFFFAOYSA-N
XLogP-1.08
TPSA166.99 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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'}

Analyze 1-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-4-nitropyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-(3-carbamoyl-4-nitropyrazol-1-yl)butanoate
CID 163333250
ethane;1-methyl-4-nitropyrazole-3-carboxamide
CID 145224461
2-[2-[2-[2-(4-nitropyrazol-1-yl)ethoxy]ethoxy]ethoxy]ethanamine
CID 138694115
4-amino-1-[2-(2-hydroxyethoxy)ethyl]pyrazole-3-carboxamide
CID 107345439
4-nitro-1-(2-phenoxyethyl)pyrazole-3-carboxylic acid
CID 107345719
1-(2-hydroxyethyl)-4-nitropyrazole-3-carboxylic acid
CID 107345471
1-(2-methoxyethyl)-4-nitropyrazol-3-amine
CID 122604147
N-methyl-4-nitro-1-(3,3,3-trifluoropropyl)pyrazole-3-carboxamide
CID 70116191
1-[2-(dimethylamino)ethyl]-4-nitropyrazole-3-carbonyl chloride
CID 155673601
1-[2-(diethylamino)ethyl]-4-nitropyrazole-3-carboxylic acid
CID 107345739
methyl 1-(chloromethyl)-4-nitropyrazole-3-carboxylate
CID 50896714
1-ethyl-4-[3-(3-methyl-4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide
CID 19539887

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-4-nitropyrazole-3-carboxamide?
The IUPAC name of 1-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-4-nitropyrazole-3-carboxamide (CID 138695018) is 1-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-4-nitropyrazole-3-carboxamide.
What is the SMILES notation for 1-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-4-nitropyrazole-3-carboxamide?
The canonical SMILES for 1-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-4-nitropyrazole-3-carboxamide is NCCOCCOCCOCCOCCn1cc([N+](=O)[O-])c(C(N)=O)n1.
What is the InChIKey of 1-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-4-nitropyrazole-3-carboxamide?
The InChIKey is LNAAMYABGDNVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O7/c15-1-3-23-5-7-25-9-10-26-8-6-24-4-2-18-11-12(19(21)22)13(17-18)14(16)20/h11H,1-10,15H2,(H2,16,20).
What are the key properties of 1-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-4-nitropyrazole-3-carboxamide?
1-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-4-nitropyrazole-3-carboxamide has a molecular weight of 375.38 g/mol, XLogP of -1.08, 16 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-4-nitropyrazole-3-carboxamide is sourced from PubChem (CID 138695018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).