N-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-4-nitro-3-propylpyrazol-5-amine

C14H25N5O2 — CID 105419128

IUPACN-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-4-nitro-3-propylpyrazol-5-amine
SMILESCCCc1nn(C)c(NCC2(N(C)C)CCC2)c1[N+](=O)[O-]
InChIInChI=1S/C14H25N5O2/c1-5-7-11-12(19(20)21)13(18(4)16-11)15-10-14(17(2)3)8-6-9-14/h15H,5-10H2,1-4H3
InChIKeyPDEQREXBXSEABB-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.18
Rot. Bonds7

About N-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-4-nitro-3-propylpyrazol-5-amine

N-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-4-nitro-3-propylpyrazol-5-amine (PubChem CID 105419128) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-4-nitro-3-propylpyrazol-5-amine.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-4-nitro-3-propylpyrazol-5-amine
PubChem CID105419128
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC NameN-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-4-nitro-3-propylpyrazol-5-amine
SMILESCCCc1nn(C)c(NCC2(N(C)C)CCC2)c1[N+](=O)[O-]
InChIInChI=1S/C14H25N5O2/c1-5-7-11-12(19(20)21)13(18(4)16-11)15-10-14(17(2)3)8-6-9-14/h15H,5-10H2,1-4H3
InChIKeyPDEQREXBXSEABB-UHFFFAOYSA-N
XLogP2.18
TPSA76.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.18
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'}

Analyze N-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-4-nitro-3-propylpyrazol-5-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-4-nitro-3-propylpyrazol-5-amine?
The IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-4-nitro-3-propylpyrazol-5-amine (CID 105419128) is N-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-4-nitro-3-propylpyrazol-5-amine.
What is the SMILES notation for N-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-4-nitro-3-propylpyrazol-5-amine?
The canonical SMILES for N-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-4-nitro-3-propylpyrazol-5-amine is CCCc1nn(C)c(NCC2(N(C)C)CCC2)c1[N+](=O)[O-].
What is the InChIKey of N-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-4-nitro-3-propylpyrazol-5-amine?
The InChIKey is PDEQREXBXSEABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-5-7-11-12(19(20)21)13(18(4)16-11)15-10-14(17(2)3)8-6-9-14/h15H,5-10H2,1-4H3.
What are the key properties of N-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-4-nitro-3-propylpyrazol-5-amine?
N-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-4-nitro-3-propylpyrazol-5-amine has a molecular weight of 295.39 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-4-nitro-3-propylpyrazol-5-amine is sourced from PubChem (CID 105419128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).