1-(1-ethylpiperidin-4-yl)-4-nitropyrazol-3-amine

C10H17N5O2 — CID 122604139

IUPAC1-(1-ethylpiperidin-4-yl)-4-nitropyrazol-3-amine
SMILESCCN1CCC(n2cc([N+](=O)[O-])c(N)n2)CC1
InChIInChI=1S/C10H17N5O2/c1-2-13-5-3-8(4-6-13)14-7-9(15(16)17)10(11)12-14/h7-8H,2-6H2,1H3,(H2,11,12)
InChIKeyVULQOSLYVGGIOG-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.03
Rot. Bonds3

About 1-(1-ethylpiperidin-4-yl)-4-nitropyrazol-3-amine

1-(1-ethylpiperidin-4-yl)-4-nitropyrazol-3-amine (PubChem CID 122604139) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is 1-(1-ethylpiperidin-4-yl)-4-nitropyrazol-3-amine.

Molecular Properties

Compound Name1-(1-ethylpiperidin-4-yl)-4-nitropyrazol-3-amine
PubChem CID122604139
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name1-(1-ethylpiperidin-4-yl)-4-nitropyrazol-3-amine
SMILESCCN1CCC(n2cc([N+](=O)[O-])c(N)n2)CC1
InChIInChI=1S/C10H17N5O2/c1-2-13-5-3-8(4-6-13)14-7-9(15(16)17)10(11)12-14/h7-8H,2-6H2,1H3,(H2,11,12)
InChIKeyVULQOSLYVGGIOG-UHFFFAOYSA-N
XLogP1.03
TPSA90.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.03
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

1-(2-fluoroethyl)-4-(3-methyl-4-nitropyrazol-1-yl)piperidine
CID 155280199
tert-butyl 4-(3-ethoxy-4-nitropyrazol-1-yl)piperidine-1-carboxylate
CID 171524613
3-iodo-4-nitro-1-(oxan-4-yl)pyrazole
CID 122684246
4-nitro-1-propylpyrazol-3-amine
CID 122604128
4-nitro-1-(oxan-4-yl)pyrazole-3-carboxylic acid
CID 90424390
4-(3-methyl-4-nitropyrazol-1-yl)piperidine;hydrochloride
CID 172561235
4-N-(1-ethylpiperidin-4-yl)-4-N-methyl-5-nitropyrimidine-4,6-diamine
CID 80821259
[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]methanethiol
CID 155403635
tert-butyl 4-[3-(ethoxycarbonylamino)-4-nitropyrazol-1-yl]piperidine-1-carboxylate
CID 122604704
2-(1-cyclohexyl-4-nitropyrazol-3-yl)pyridine;ethanol
CID 145176619
N-(1-ethylpiperidin-4-yl)-5-methyl-4-nitropyridin-2-amine
CID 83268812
1-[4-[3-(2-hydroxypropan-2-yl)-4-nitropyrazol-1-yl]cyclohexyl]ethanone
CID 170367480

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpiperidin-4-yl)-4-nitropyrazol-3-amine?
The IUPAC name of 1-(1-ethylpiperidin-4-yl)-4-nitropyrazol-3-amine (CID 122604139) is 1-(1-ethylpiperidin-4-yl)-4-nitropyrazol-3-amine.
What is the SMILES notation for 1-(1-ethylpiperidin-4-yl)-4-nitropyrazol-3-amine?
The canonical SMILES for 1-(1-ethylpiperidin-4-yl)-4-nitropyrazol-3-amine is CCN1CCC(n2cc([N+](=O)[O-])c(N)n2)CC1.
What is the InChIKey of 1-(1-ethylpiperidin-4-yl)-4-nitropyrazol-3-amine?
The InChIKey is VULQOSLYVGGIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-2-13-5-3-8(4-6-13)14-7-9(15(16)17)10(11)12-14/h7-8H,2-6H2,1H3,(H2,11,12).
What are the key properties of 1-(1-ethylpiperidin-4-yl)-4-nitropyrazol-3-amine?
1-(1-ethylpiperidin-4-yl)-4-nitropyrazol-3-amine has a molecular weight of 239.28 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpiperidin-4-yl)-4-nitropyrazol-3-amine is sourced from PubChem (CID 122604139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).