1,3-dimethyl-4-nitro-N-(3-pyrazol-1-ylpropyl)pyrazol-5-amine

C11H16N6O2 — CID 115602277

IUPAC1,3-dimethyl-4-nitro-N-(3-pyrazol-1-ylpropyl)pyrazol-5-amine
SMILESCc1nn(C)c(NCCCn2cccn2)c1[N+](=O)[O-]
InChIInChI=1S/C11H16N6O2/c1-9-10(17(18)19)11(15(2)14-9)12-5-3-7-16-8-4-6-13-16/h4,6,8,12H,3,5,7H2,1-2H3
InChIKeyUMUDKXUNHPKUSO-UHFFFAOYSA-N
MW264.29 g/mol
LogP1.34
Rot. Bonds6

About 1,3-dimethyl-4-nitro-N-(3-pyrazol-1-ylpropyl)pyrazol-5-amine

1,3-dimethyl-4-nitro-N-(3-pyrazol-1-ylpropyl)pyrazol-5-amine (PubChem CID 115602277) has the molecular formula C11H16N6O2 and a molecular weight of 264.29 g/mol. Its IUPAC name is 1,3-dimethyl-4-nitro-N-(3-pyrazol-1-ylpropyl)pyrazol-5-amine.

Molecular Properties

Compound Name1,3-dimethyl-4-nitro-N-(3-pyrazol-1-ylpropyl)pyrazol-5-amine
PubChem CID115602277
Molecular FormulaC11H16N6O2
Molecular Weight264.29 g/mol
Exact Mass264.13
IUPAC Name1,3-dimethyl-4-nitro-N-(3-pyrazol-1-ylpropyl)pyrazol-5-amine
SMILESCc1nn(C)c(NCCCn2cccn2)c1[N+](=O)[O-]
InChIInChI=1S/C11H16N6O2/c1-9-10(17(18)19)11(15(2)14-9)12-5-3-7-16-8-4-6-13-16/h4,6,8,12H,3,5,7H2,1-2H3
InChIKeyUMUDKXUNHPKUSO-UHFFFAOYSA-N
XLogP1.34
TPSA90.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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'}

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Related Compounds

3-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]propan-1-ol
CID 43554268
N'-(1,3-dimethyl-4-nitropyrazol-5-yl)-N-(1-methylpyrazol-3-yl)ethane-1,2-diamine
CID 100710669
N'-(1,3-dimethyl-4-nitropyrazol-5-yl)ethane-1,2-diamine;hydrochloride
CID 18769501
4-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]-2,2-dimethylbutanoic acid
CID 114285534
1,3-dimethyl-4-nitro-N-pyrrol-1-ylpyrazol-5-amine
CID 79107523
6-methyl-3-nitro-N-(3-pyrazol-1-ylpropyl)pyridin-2-amine
CID 115714662
N-butyl-3-methyl-4-nitro-1-propylpyrazol-5-amine
CID 66013299
2-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]-N,N-dimethylethanesulfonamide
CID 106339133
1,3-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-4-nitropyrazol-5-amine
CID 78955231
3-nitro-N-(3-pyrazol-1-ylpropyl)pyridin-2-amine
CID 112684451
N-[2-(4-chlorophenyl)ethyl]-1,3-dimethyl-4-nitropyrazol-5-amine
CID 2807341
1-N-(1,3-dimethyl-4-nitropyrazol-5-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 54913295

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-nitro-N-(3-pyrazol-1-ylpropyl)pyrazol-5-amine?
The IUPAC name of 1,3-dimethyl-4-nitro-N-(3-pyrazol-1-ylpropyl)pyrazol-5-amine (CID 115602277) is 1,3-dimethyl-4-nitro-N-(3-pyrazol-1-ylpropyl)pyrazol-5-amine.
What is the SMILES notation for 1,3-dimethyl-4-nitro-N-(3-pyrazol-1-ylpropyl)pyrazol-5-amine?
The canonical SMILES for 1,3-dimethyl-4-nitro-N-(3-pyrazol-1-ylpropyl)pyrazol-5-amine is Cc1nn(C)c(NCCCn2cccn2)c1[N+](=O)[O-].
What is the InChIKey of 1,3-dimethyl-4-nitro-N-(3-pyrazol-1-ylpropyl)pyrazol-5-amine?
The InChIKey is UMUDKXUNHPKUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O2/c1-9-10(17(18)19)11(15(2)14-9)12-5-3-7-16-8-4-6-13-16/h4,6,8,12H,3,5,7H2,1-2H3.
What are the key properties of 1,3-dimethyl-4-nitro-N-(3-pyrazol-1-ylpropyl)pyrazol-5-amine?
1,3-dimethyl-4-nitro-N-(3-pyrazol-1-ylpropyl)pyrazol-5-amine has a molecular weight of 264.29 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-nitro-N-(3-pyrazol-1-ylpropyl)pyrazol-5-amine is sourced from PubChem (CID 115602277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).