1,3-dimethyl-4-nitro-N-pyrrolidin-3-ylpyrazol-5-amine

C9H15N5O2 — CID 62381165

IUPAC1,3-dimethyl-4-nitro-N-pyrrolidin-3-ylpyrazol-5-amine
SMILESCc1nn(C)c(NC2CCNC2)c1[N+](=O)[O-]
InChIInChI=1S/C9H15N5O2/c1-6-8(14(15)16)9(13(2)12-6)11-7-3-4-10-5-7/h7,10-11H,3-5H2,1-2H3
InChIKeyGLJJWBPHAROIRH-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.41
Rot. Bonds3

About 1,3-dimethyl-4-nitro-N-pyrrolidin-3-ylpyrazol-5-amine

1,3-dimethyl-4-nitro-N-pyrrolidin-3-ylpyrazol-5-amine (PubChem CID 62381165) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 1,3-dimethyl-4-nitro-N-pyrrolidin-3-ylpyrazol-5-amine.

Molecular Properties

Compound Name1,3-dimethyl-4-nitro-N-pyrrolidin-3-ylpyrazol-5-amine
PubChem CID62381165
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC Name1,3-dimethyl-4-nitro-N-pyrrolidin-3-ylpyrazol-5-amine
SMILESCc1nn(C)c(NC2CCNC2)c1[N+](=O)[O-]
InChIInChI=1S/C9H15N5O2/c1-6-8(14(15)16)9(13(2)12-6)11-7-3-4-10-5-7/h7,10-11H,3-5H2,1-2H3
InChIKeyGLJJWBPHAROIRH-UHFFFAOYSA-N
XLogP0.41
TPSA85.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.41
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-(3-methyl-4-nitro-1-propan-2-ylpyrazol-5-yl)piperidin-3-amine
CID 66026983
N-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperidin-3-amine
CID 66016422
1,3-dimethyl-4-nitro-N-(3,3,5,5-tetramethylcyclohexyl)pyrazol-5-amine
CID 103967180
N-(1-methyl-4-nitro-3-propan-2-ylpyrazol-5-yl)azepan-3-amine
CID 66017638
N-(3-methyl-4-nitro-1-propan-2-ylpyrazol-5-yl)azepan-4-amine
CID 107173655
N-(azetidin-3-yl)-3-methyl-4-nitro-1-propan-2-ylpyrazol-5-amine
CID 66188441
(1,3-dimethyl-4-nitropyrazol-5-yl)hydrazine
CID 3537257
1,3-dimethyl-4-nitro-N-(2-piperidin-4-yloxyethyl)pyrazol-5-amine
CID 63870679
trans-(1R,2R)-2-N-(1,3-dimethyl-4-nitropyrazol-5-yl)cyclohexane-1,2-diamine
CID 93453939
N-(azetidin-3-yl)-3-ethyl-1-methyl-4-nitropyrazol-5-amine
CID 66188443
N-(3-ethylsulfinylcyclohexyl)-1,3-dimethyl-4-nitropyrazol-5-amine
CID 122147206
3-methyl-4-nitro-1-propan-2-yl-N-(pyrrolidin-3-ylmethyl)pyrazol-5-amine
CID 80564001

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-nitro-N-pyrrolidin-3-ylpyrazol-5-amine?
The IUPAC name of 1,3-dimethyl-4-nitro-N-pyrrolidin-3-ylpyrazol-5-amine (CID 62381165) is 1,3-dimethyl-4-nitro-N-pyrrolidin-3-ylpyrazol-5-amine.
What is the SMILES notation for 1,3-dimethyl-4-nitro-N-pyrrolidin-3-ylpyrazol-5-amine?
The canonical SMILES for 1,3-dimethyl-4-nitro-N-pyrrolidin-3-ylpyrazol-5-amine is Cc1nn(C)c(NC2CCNC2)c1[N+](=O)[O-].
What is the InChIKey of 1,3-dimethyl-4-nitro-N-pyrrolidin-3-ylpyrazol-5-amine?
The InChIKey is GLJJWBPHAROIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c1-6-8(14(15)16)9(13(2)12-6)11-7-3-4-10-5-7/h7,10-11H,3-5H2,1-2H3.
What are the key properties of 1,3-dimethyl-4-nitro-N-pyrrolidin-3-ylpyrazol-5-amine?
1,3-dimethyl-4-nitro-N-pyrrolidin-3-ylpyrazol-5-amine has a molecular weight of 225.25 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-nitro-N-pyrrolidin-3-ylpyrazol-5-amine is sourced from PubChem (CID 62381165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).