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

C9H11N5O2 — CID 79107523

IUPAC1,3-dimethyl-4-nitro-N-pyrrol-1-ylpyrazol-5-amine
SMILESCc1nn(C)c(Nn2cccc2)c1[N+](=O)[O-]
InChIInChI=1S/C9H11N5O2/c1-7-8(14(15)16)9(12(2)10-7)11-13-5-3-4-6-13/h3-6,11H,1-2H3
InChIKeyKCNWDGSQMFNMOO-UHFFFAOYSA-N
MW221.22 g/mol
LogP1.31
Rot. Bonds3

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

1,3-dimethyl-4-nitro-N-pyrrol-1-ylpyrazol-5-amine (PubChem CID 79107523) has the molecular formula C9H11N5O2 and a molecular weight of 221.22 g/mol. Its IUPAC name is 1,3-dimethyl-4-nitro-N-pyrrol-1-ylpyrazol-5-amine.

Molecular Properties

Compound Name1,3-dimethyl-4-nitro-N-pyrrol-1-ylpyrazol-5-amine
PubChem CID79107523
Molecular FormulaC9H11N5O2
Molecular Weight221.22 g/mol
Exact Mass221.09
IUPAC Name1,3-dimethyl-4-nitro-N-pyrrol-1-ylpyrazol-5-amine
SMILESCc1nn(C)c(Nn2cccc2)c1[N+](=O)[O-]
InChIInChI=1S/C9H11N5O2/c1-7-8(14(15)16)9(12(2)10-7)11-13-5-3-4-6-13/h3-6,11H,1-2H3
InChIKeyKCNWDGSQMFNMOO-UHFFFAOYSA-N
XLogP1.31
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 51.31
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-methyl-4-nitro-3-propyl-N-pyrrol-1-ylpyrazol-5-amine
CID 79106780
(1,3-dimethyl-4-nitropyrazol-5-yl)hydrazine
CID 3537257
2,3-dimethyl-5-nitro-N-pyrrol-1-ylimidazol-4-amine
CID 103746170
1,3-dimethyl-4-nitro-N-(3-pyrazol-1-ylpropyl)pyrazol-5-amine
CID 115602277
1-N'-(1,3-dimethyl-4-nitropyrazol-5-yl)ethane-1,1-diamine
CID 139771367
N'-(1,3-dimethyl-4-nitropyrazol-5-yl)-N-(1-methylpyrazol-3-yl)ethane-1,2-diamine
CID 100710669
1,3-dimethyl-N-[(4-methylphenyl)methyl]-4-nitropyrazol-5-amine
CID 43533042
N'-(1,3-dimethyl-4-nitropyrazol-5-yl)ethane-1,2-diamine;hydrochloride
CID 18769501
N-but-3-yn-2-yl-1,3-dimethyl-4-nitropyrazol-5-amine
CID 114382971
3-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]propan-1-ol
CID 43554268
6-chloro-2-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]benzo[de]isoquinoline-1,3-dione
CID 2828048
1,3-dimethyl-4-nitro-N-(pyridazin-3-ylmethyl)pyrazol-5-amine
CID 106832693

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-nitro-N-pyrrol-1-ylpyrazol-5-amine?
The IUPAC name of 1,3-dimethyl-4-nitro-N-pyrrol-1-ylpyrazol-5-amine (CID 79107523) is 1,3-dimethyl-4-nitro-N-pyrrol-1-ylpyrazol-5-amine.
What is the SMILES notation for 1,3-dimethyl-4-nitro-N-pyrrol-1-ylpyrazol-5-amine?
The canonical SMILES for 1,3-dimethyl-4-nitro-N-pyrrol-1-ylpyrazol-5-amine is Cc1nn(C)c(Nn2cccc2)c1[N+](=O)[O-].
What is the InChIKey of 1,3-dimethyl-4-nitro-N-pyrrol-1-ylpyrazol-5-amine?
The InChIKey is KCNWDGSQMFNMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O2/c1-7-8(14(15)16)9(12(2)10-7)11-13-5-3-4-6-13/h3-6,11H,1-2H3.
What are the key properties of 1,3-dimethyl-4-nitro-N-pyrrol-1-ylpyrazol-5-amine?
1,3-dimethyl-4-nitro-N-pyrrol-1-ylpyrazol-5-amine has a molecular weight of 221.22 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-nitro-N-pyrrol-1-ylpyrazol-5-amine is sourced from PubChem (CID 79107523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).