N-(1-ethylpyrazol-4-yl)-1,3-dimethyl-4-nitropyrazol-5-amine

C10H14N6O2 — CID 43554323

IUPACN-(1-ethylpyrazol-4-yl)-1,3-dimethyl-4-nitropyrazol-5-amine
SMILESCCn1cc(Nc2c([N+](=O)[O-])c(C)nn2C)cn1
InChIInChI=1S/C10H14N6O2/c1-4-15-6-8(5-11-15)12-10-9(16(17)18)7(2)13-14(10)3/h5-6,12H,4H2,1-3H3
InChIKeyXUJCHRVXXAELEI-UHFFFAOYSA-N
MW250.26 g/mol
LogP1.60
Rot. Bonds4

About N-(1-ethylpyrazol-4-yl)-1,3-dimethyl-4-nitropyrazol-5-amine

N-(1-ethylpyrazol-4-yl)-1,3-dimethyl-4-nitropyrazol-5-amine (PubChem CID 43554323) has the molecular formula C10H14N6O2 and a molecular weight of 250.26 g/mol. Its IUPAC name is N-(1-ethylpyrazol-4-yl)-1,3-dimethyl-4-nitropyrazol-5-amine.

Molecular Properties

Compound NameN-(1-ethylpyrazol-4-yl)-1,3-dimethyl-4-nitropyrazol-5-amine
PubChem CID43554323
Molecular FormulaC10H14N6O2
Molecular Weight250.26 g/mol
Exact Mass250.12
IUPAC NameN-(1-ethylpyrazol-4-yl)-1,3-dimethyl-4-nitropyrazol-5-amine
SMILESCCn1cc(Nc2c([N+](=O)[O-])c(C)nn2C)cn1
InChIInChI=1S/C10H14N6O2/c1-4-15-6-8(5-11-15)12-10-9(16(17)18)7(2)13-14(10)3/h5-6,12H,4H2,1-3H3
InChIKeyXUJCHRVXXAELEI-UHFFFAOYSA-N
XLogP1.60
TPSA90.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrazol-4-yl)-1,3-dimethyl-4-nitropyrazol-5-amine?
The IUPAC name of N-(1-ethylpyrazol-4-yl)-1,3-dimethyl-4-nitropyrazol-5-amine (CID 43554323) is N-(1-ethylpyrazol-4-yl)-1,3-dimethyl-4-nitropyrazol-5-amine.
What is the SMILES notation for N-(1-ethylpyrazol-4-yl)-1,3-dimethyl-4-nitropyrazol-5-amine?
The canonical SMILES for N-(1-ethylpyrazol-4-yl)-1,3-dimethyl-4-nitropyrazol-5-amine is CCn1cc(Nc2c([N+](=O)[O-])c(C)nn2C)cn1.
What is the InChIKey of N-(1-ethylpyrazol-4-yl)-1,3-dimethyl-4-nitropyrazol-5-amine?
The InChIKey is XUJCHRVXXAELEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O2/c1-4-15-6-8(5-11-15)12-10-9(16(17)18)7(2)13-14(10)3/h5-6,12H,4H2,1-3H3.
What are the key properties of N-(1-ethylpyrazol-4-yl)-1,3-dimethyl-4-nitropyrazol-5-amine?
N-(1-ethylpyrazol-4-yl)-1,3-dimethyl-4-nitropyrazol-5-amine has a molecular weight of 250.26 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrazol-4-yl)-1,3-dimethyl-4-nitropyrazol-5-amine is sourced from PubChem (CID 43554323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).