N-(2,2-dimethyloxan-4-yl)-3-methyl-4-nitro-1-propylpyrazol-5-amine

C14H24N4O3 — CID 83037075

IUPACN-(2,2-dimethyloxan-4-yl)-3-methyl-4-nitro-1-propylpyrazol-5-amine
SMILESCCCn1nc(C)c([N+](=O)[O-])c1NC1CCOC(C)(C)C1
InChIInChI=1S/C14H24N4O3/c1-5-7-17-13(12(18(19)20)10(2)16-17)15-11-6-8-21-14(3,4)9-11/h11,15H,5-9H2,1-4H3
InChIKeyAKWFNYPXUUTHLB-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.88
Rot. Bonds5

About N-(2,2-dimethyloxan-4-yl)-3-methyl-4-nitro-1-propylpyrazol-5-amine

N-(2,2-dimethyloxan-4-yl)-3-methyl-4-nitro-1-propylpyrazol-5-amine (PubChem CID 83037075) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-(2,2-dimethyloxan-4-yl)-3-methyl-4-nitro-1-propylpyrazol-5-amine.

Molecular Properties

Compound NameN-(2,2-dimethyloxan-4-yl)-3-methyl-4-nitro-1-propylpyrazol-5-amine
PubChem CID83037075
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC NameN-(2,2-dimethyloxan-4-yl)-3-methyl-4-nitro-1-propylpyrazol-5-amine
SMILESCCCn1nc(C)c([N+](=O)[O-])c1NC1CCOC(C)(C)C1
InChIInChI=1S/C14H24N4O3/c1-5-7-17-13(12(18(19)20)10(2)16-17)15-11-6-8-21-14(3,4)9-11/h11,15H,5-9H2,1-4H3
InChIKeyAKWFNYPXUUTHLB-UHFFFAOYSA-N
XLogP2.88
TPSA82.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.88
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

N-(1,1-dioxothian-4-yl)-3-methyl-4-nitro-1-propylpyrazol-5-amine
CID 66011549
N-(1,1-dioxothiolan-3-yl)-3-methyl-4-nitro-1-propylpyrazol-5-amine
CID 66013301
5-[(3-methyl-4-nitro-1-propylpyrazol-5-yl)amino]piperidin-2-one
CID 66027997
3-methyl-N-(1-methylcyclopropyl)-4-nitro-1-propylpyrazol-5-amine
CID 113485574
1-ethyl-3-methyl-N-(4-methylcyclohexyl)-4-nitropyrazol-5-amine
CID 66010827
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-methyl-4-nitro-1-propylpyrazol-5-amine
CID 107389340
N-cyclohexyl-1-ethyl-3-methyl-4-nitropyrazol-5-amine
CID 66012574
3-methyl-N-[(1-methylcyclopentyl)methyl]-4-nitro-1-propylpyrazol-5-amine
CID 66028385
N-methyl-N'-(3-methyl-4-nitro-1-propylpyrazol-5-yl)ethane-1,2-diamine
CID 66028978
1-ethyl-N-(4-ethylcyclohexyl)-3-methyl-4-nitropyrazol-5-amine
CID 66011038
N-butyl-3-methyl-4-nitro-1-propylpyrazol-5-amine
CID 66013299
3-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)amino]cyclobutan-1-ol
CID 66011060

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyloxan-4-yl)-3-methyl-4-nitro-1-propylpyrazol-5-amine?
The IUPAC name of N-(2,2-dimethyloxan-4-yl)-3-methyl-4-nitro-1-propylpyrazol-5-amine (CID 83037075) is N-(2,2-dimethyloxan-4-yl)-3-methyl-4-nitro-1-propylpyrazol-5-amine.
What is the SMILES notation for N-(2,2-dimethyloxan-4-yl)-3-methyl-4-nitro-1-propylpyrazol-5-amine?
The canonical SMILES for N-(2,2-dimethyloxan-4-yl)-3-methyl-4-nitro-1-propylpyrazol-5-amine is CCCn1nc(C)c([N+](=O)[O-])c1NC1CCOC(C)(C)C1.
What is the InChIKey of N-(2,2-dimethyloxan-4-yl)-3-methyl-4-nitro-1-propylpyrazol-5-amine?
The InChIKey is AKWFNYPXUUTHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-5-7-17-13(12(18(19)20)10(2)16-17)15-11-6-8-21-14(3,4)9-11/h11,15H,5-9H2,1-4H3.
What are the key properties of N-(2,2-dimethyloxan-4-yl)-3-methyl-4-nitro-1-propylpyrazol-5-amine?
N-(2,2-dimethyloxan-4-yl)-3-methyl-4-nitro-1-propylpyrazol-5-amine has a molecular weight of 296.37 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyloxan-4-yl)-3-methyl-4-nitro-1-propylpyrazol-5-amine is sourced from PubChem (CID 83037075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).