1-N-(1-methyl-4-nitro-3-propylpyrazol-5-yl)propane-1,2-diamine

C10H19N5O2 — CID 66019067

IUPAC1-N-(1-methyl-4-nitro-3-propylpyrazol-5-yl)propane-1,2-diamine
SMILESCCCc1nn(C)c(NCC(C)N)c1[N+](=O)[O-]
InChIInChI=1S/C10H19N5O2/c1-4-5-8-9(15(16)17)10(14(3)13-8)12-6-7(2)11/h7,12H,4-6,11H2,1-3H3
InChIKeyLJNYREJIIHOKSO-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.04
Rot. Bonds6

About 1-N-(1-methyl-4-nitro-3-propylpyrazol-5-yl)propane-1,2-diamine

1-N-(1-methyl-4-nitro-3-propylpyrazol-5-yl)propane-1,2-diamine (PubChem CID 66019067) has the molecular formula C10H19N5O2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-N-(1-methyl-4-nitro-3-propylpyrazol-5-yl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-(1-methyl-4-nitro-3-propylpyrazol-5-yl)propane-1,2-diamine
PubChem CID66019067
Molecular FormulaC10H19N5O2
Molecular Weight241.29 g/mol
Exact Mass241.15
IUPAC Name1-N-(1-methyl-4-nitro-3-propylpyrazol-5-yl)propane-1,2-diamine
SMILESCCCc1nn(C)c(NCC(C)N)c1[N+](=O)[O-]
InChIInChI=1S/C10H19N5O2/c1-4-5-8-9(15(16)17)10(14(3)13-8)12-6-7(2)11/h7,12H,4-6,11H2,1-3H3
InChIKeyLJNYREJIIHOKSO-UHFFFAOYSA-N
XLogP1.04
TPSA99.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.04
H-Bond Donors ≤ 52
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,2-dimethyl-N'-(1-methyl-4-nitro-3-propylpyrazol-5-yl)propane-1,3-diamine
CID 115302974
2-methyl-3-[(1-methyl-4-nitro-3-propylpyrazol-5-yl)amino]propan-1-ol
CID 66019630
N'-(1-methyl-4-nitro-3-propylpyrazol-5-yl)ethane-1,2-diamine
CID 66016680
4-methyl-5-[(1-methyl-4-nitro-3-propylpyrazol-5-yl)amino]pentanoic acid
CID 82013145
2-[(1-methyl-4-nitro-3-propylpyrazol-5-yl)amino]ethanol
CID 66017659
3-methyl-2-N-(1-methyl-4-nitro-3-propylpyrazol-5-yl)butane-1,2-diamine
CID 66019068
2,2-dimethyl-3-[(1-methyl-4-nitro-3-propylpyrazol-5-yl)amino]propanamide
CID 106277719
1-methyl-N-(3-methylbut-2-enyl)-4-nitro-3-propylpyrazol-5-amine
CID 106191284
N-(2-cyclopropylethyl)-1-methyl-4-nitro-3-propylpyrazol-5-amine
CID 66018276
3-ethyl-1-methyl-4-nitro-N-(2,3,3-trimethylbutyl)pyrazol-5-amine
CID 83093739
1-methyl-4-nitro-N-[(E)-pent-3-enyl]-3-propylpyrazol-5-amine
CID 113465741
1-N,1-N-diethyl-2-N-(1-methyl-4-nitro-3-propylpyrazol-5-yl)propane-1,2-diamine
CID 66019038

Frequently Asked Questions

What is the IUPAC name of 1-N-(1-methyl-4-nitro-3-propylpyrazol-5-yl)propane-1,2-diamine?
The IUPAC name of 1-N-(1-methyl-4-nitro-3-propylpyrazol-5-yl)propane-1,2-diamine (CID 66019067) is 1-N-(1-methyl-4-nitro-3-propylpyrazol-5-yl)propane-1,2-diamine.
What is the SMILES notation for 1-N-(1-methyl-4-nitro-3-propylpyrazol-5-yl)propane-1,2-diamine?
The canonical SMILES for 1-N-(1-methyl-4-nitro-3-propylpyrazol-5-yl)propane-1,2-diamine is CCCc1nn(C)c(NCC(C)N)c1[N+](=O)[O-].
What is the InChIKey of 1-N-(1-methyl-4-nitro-3-propylpyrazol-5-yl)propane-1,2-diamine?
The InChIKey is LJNYREJIIHOKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2/c1-4-5-8-9(15(16)17)10(14(3)13-8)12-6-7(2)11/h7,12H,4-6,11H2,1-3H3.
What are the key properties of 1-N-(1-methyl-4-nitro-3-propylpyrazol-5-yl)propane-1,2-diamine?
1-N-(1-methyl-4-nitro-3-propylpyrazol-5-yl)propane-1,2-diamine has a molecular weight of 241.29 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1-methyl-4-nitro-3-propylpyrazol-5-yl)propane-1,2-diamine is sourced from PubChem (CID 66019067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).