N-cyclopropyl-3-ethyl-1-methyl-4-nitropyrazol-5-amine

C9H14N4O2 — CID 66014763

IUPACN-cyclopropyl-3-ethyl-1-methyl-4-nitropyrazol-5-amine
SMILESCCc1nn(C)c(NC2CC2)c1[N+](=O)[O-]
InChIInChI=1S/C9H14N4O2/c1-3-7-8(13(14)15)9(12(2)11-7)10-6-4-5-6/h6,10H,3-5H2,1-2H3
InChIKeyXWFJWKOIEWSVMK-UHFFFAOYSA-N
MW210.24 g/mol
LogP1.47
Rot. Bonds4

About N-cyclopropyl-3-ethyl-1-methyl-4-nitropyrazol-5-amine

N-cyclopropyl-3-ethyl-1-methyl-4-nitropyrazol-5-amine (PubChem CID 66014763) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is N-cyclopropyl-3-ethyl-1-methyl-4-nitropyrazol-5-amine.

Molecular Properties

Compound NameN-cyclopropyl-3-ethyl-1-methyl-4-nitropyrazol-5-amine
PubChem CID66014763
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC NameN-cyclopropyl-3-ethyl-1-methyl-4-nitropyrazol-5-amine
SMILESCCc1nn(C)c(NC2CC2)c1[N+](=O)[O-]
InChIInChI=1S/C9H14N4O2/c1-3-7-8(13(14)15)9(12(2)11-7)10-6-4-5-6/h6,10H,3-5H2,1-2H3
InChIKeyXWFJWKOIEWSVMK-UHFFFAOYSA-N
XLogP1.47
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

3-ethyl-1-methyl-N-(4-methylcyclohexyl)-4-nitropyrazol-5-amine
CID 66014368
N-cyclopentyl-3-ethyl-1-methyl-4-nitropyrazol-5-amine
CID 66015162
N-(azetidin-3-yl)-3-ethyl-1-methyl-4-nitropyrazol-5-amine
CID 66188443
N-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperidin-3-amine
CID 66016422
N-cyclobutyl-1-methyl-4-nitro-3-propylpyrazol-5-amine
CID 66017295
methyl 4-[(3-ethyl-1-methyl-4-nitropyrazol-5-yl)amino]piperidine-1-carboxylate
CID 133441214
3-ethyl-1-methyl-4-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyrazol-5-amine
CID 79362830
3-ethyl-1-methyl-4-nitro-N-(piperidin-4-ylmethyl)pyrazol-5-amine
CID 66016615
N-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-4-methylpiperazin-1-amine
CID 83025580
N-(1,1-dioxothian-3-yl)-1-methyl-4-nitro-3-propylpyrazol-5-amine
CID 66017880
3-ethyl-1-methyl-4-nitro-N-(piperidin-3-ylmethyl)pyrazol-5-amine
CID 66016613
3-ethyl-1-methyl-N-[(3-methylcyclopentyl)methyl]-4-nitropyrazol-5-amine
CID 107413801

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-ethyl-1-methyl-4-nitropyrazol-5-amine?
The IUPAC name of N-cyclopropyl-3-ethyl-1-methyl-4-nitropyrazol-5-amine (CID 66014763) is N-cyclopropyl-3-ethyl-1-methyl-4-nitropyrazol-5-amine.
What is the SMILES notation for N-cyclopropyl-3-ethyl-1-methyl-4-nitropyrazol-5-amine?
The canonical SMILES for N-cyclopropyl-3-ethyl-1-methyl-4-nitropyrazol-5-amine is CCc1nn(C)c(NC2CC2)c1[N+](=O)[O-].
What is the InChIKey of N-cyclopropyl-3-ethyl-1-methyl-4-nitropyrazol-5-amine?
The InChIKey is XWFJWKOIEWSVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-3-7-8(13(14)15)9(12(2)11-7)10-6-4-5-6/h6,10H,3-5H2,1-2H3.
What are the key properties of N-cyclopropyl-3-ethyl-1-methyl-4-nitropyrazol-5-amine?
N-cyclopropyl-3-ethyl-1-methyl-4-nitropyrazol-5-amine has a molecular weight of 210.24 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-ethyl-1-methyl-4-nitropyrazol-5-amine is sourced from PubChem (CID 66014763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).