N,4-dimethyl-1-(1-methyl-4-nitro-3-propylpyrazol-5-yl)piperidin-4-amine

C14H25N5O2 — CID 115305500

IUPACN,4-dimethyl-1-(1-methyl-4-nitro-3-propylpyrazol-5-yl)piperidin-4-amine
SMILESCCCc1nn(C)c(N2CCC(C)(NC)CC2)c1[N+](=O)[O-]
InChIInChI=1S/C14H25N5O2/c1-5-6-11-12(19(20)21)13(17(4)16-11)18-9-7-14(2,15-3)8-10-18/h15H,5-10H2,1-4H3
InChIKeyNPPNHUIVGCFNTM-UHFFFAOYSA-N
MW295.39 g/mol
LogP1.86
Rot. Bonds5

About N,4-dimethyl-1-(1-methyl-4-nitro-3-propylpyrazol-5-yl)piperidin-4-amine

N,4-dimethyl-1-(1-methyl-4-nitro-3-propylpyrazol-5-yl)piperidin-4-amine (PubChem CID 115305500) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is N,4-dimethyl-1-(1-methyl-4-nitro-3-propylpyrazol-5-yl)piperidin-4-amine.

Molecular Properties

Compound NameN,4-dimethyl-1-(1-methyl-4-nitro-3-propylpyrazol-5-yl)piperidin-4-amine
PubChem CID115305500
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC NameN,4-dimethyl-1-(1-methyl-4-nitro-3-propylpyrazol-5-yl)piperidin-4-amine
SMILESCCCc1nn(C)c(N2CCC(C)(NC)CC2)c1[N+](=O)[O-]
InChIInChI=1S/C14H25N5O2/c1-5-6-11-12(19(20)21)13(17(4)16-11)18-9-7-14(2,15-3)8-10-18/h15H,5-10H2,1-4H3
InChIKeyNPPNHUIVGCFNTM-UHFFFAOYSA-N
XLogP1.86
TPSA76.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 51.86
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

2-[4-(1-methyl-4-nitro-3-propylpyrazol-5-yl)piperazin-1-yl]acetonitrile
CID 66016672
1-methyl-N-(1-methylcyclopentyl)-4-nitro-3-propylpyrazol-5-amine
CID 66017867
1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)azepane
CID 133423341
1-(1-methyl-4-nitro-3-propylpyrazol-5-yl)piperidin-3-ol
CID 66020040
1-(1-methyl-4-nitro-3-propylpyrazol-5-yl)-1,2,4-triazole
CID 66018336
1-(1-methyl-4-nitro-3-propylpyrazol-5-yl)imidazole-4-carboxylic acid
CID 66017144
4-(1-methyl-4-nitro-3-propylpyrazol-5-yl)thiomorpholine-3-carboxylic acid
CID 82902696
N-(2,2-dimethylcyclopropyl)-1-methyl-4-nitro-3-propylpyrazol-5-amine
CID 66018457
2-[1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperidin-4-yl]ethanamine
CID 66016624
N,4-dimethyl-1-(4-nitro-1,3-benzothiazol-5-yl)piperidin-4-amine
CID 115305704
5-(4,4-dimethylazepan-1-yl)-1-methyl-3-propylpyrazol-4-amine
CID 66019488
[1-(1-methyl-4-nitro-3-propylpyrazol-5-yl)pyrrolidin-2-yl]methanamine
CID 115313260

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-1-(1-methyl-4-nitro-3-propylpyrazol-5-yl)piperidin-4-amine?
The IUPAC name of N,4-dimethyl-1-(1-methyl-4-nitro-3-propylpyrazol-5-yl)piperidin-4-amine (CID 115305500) is N,4-dimethyl-1-(1-methyl-4-nitro-3-propylpyrazol-5-yl)piperidin-4-amine.
What is the SMILES notation for N,4-dimethyl-1-(1-methyl-4-nitro-3-propylpyrazol-5-yl)piperidin-4-amine?
The canonical SMILES for N,4-dimethyl-1-(1-methyl-4-nitro-3-propylpyrazol-5-yl)piperidin-4-amine is CCCc1nn(C)c(N2CCC(C)(NC)CC2)c1[N+](=O)[O-].
What is the InChIKey of N,4-dimethyl-1-(1-methyl-4-nitro-3-propylpyrazol-5-yl)piperidin-4-amine?
The InChIKey is NPPNHUIVGCFNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-5-6-11-12(19(20)21)13(17(4)16-11)18-9-7-14(2,15-3)8-10-18/h15H,5-10H2,1-4H3.
What are the key properties of N,4-dimethyl-1-(1-methyl-4-nitro-3-propylpyrazol-5-yl)piperidin-4-amine?
N,4-dimethyl-1-(1-methyl-4-nitro-3-propylpyrazol-5-yl)piperidin-4-amine has a molecular weight of 295.39 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-1-(1-methyl-4-nitro-3-propylpyrazol-5-yl)piperidin-4-amine is sourced from PubChem (CID 115305500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).