1,3-dimethyl-4-nitro-N-(pyridazin-3-ylmethyl)pyrazol-5-amine

C10H12N6O2 — CID 106832693

IUPAC1,3-dimethyl-4-nitro-N-(pyridazin-3-ylmethyl)pyrazol-5-amine
SMILESCc1nn(C)c(NCc2cccnn2)c1[N+](=O)[O-]
InChIInChI=1S/C10H12N6O2/c1-7-9(16(17)18)10(15(2)14-7)11-6-8-4-3-5-12-13-8/h3-5,11H,6H2,1-2H3
InChIKeyMQIJCRBBGYSLGM-UHFFFAOYSA-N
MW248.25 g/mol
LogP1.04
Rot. Bonds4

About 1,3-dimethyl-4-nitro-N-(pyridazin-3-ylmethyl)pyrazol-5-amine

1,3-dimethyl-4-nitro-N-(pyridazin-3-ylmethyl)pyrazol-5-amine (PubChem CID 106832693) has the molecular formula C10H12N6O2 and a molecular weight of 248.25 g/mol. Its IUPAC name is 1,3-dimethyl-4-nitro-N-(pyridazin-3-ylmethyl)pyrazol-5-amine.

Molecular Properties

Compound Name1,3-dimethyl-4-nitro-N-(pyridazin-3-ylmethyl)pyrazol-5-amine
PubChem CID106832693
Molecular FormulaC10H12N6O2
Molecular Weight248.25 g/mol
Exact Mass248.10
IUPAC Name1,3-dimethyl-4-nitro-N-(pyridazin-3-ylmethyl)pyrazol-5-amine
SMILESCc1nn(C)c(NCc2cccnn2)c1[N+](=O)[O-]
InChIInChI=1S/C10H12N6O2/c1-7-9(16(17)18)10(15(2)14-7)11-6-8-4-3-5-12-13-8/h3-5,11H,6H2,1-2H3
InChIKeyMQIJCRBBGYSLGM-UHFFFAOYSA-N
XLogP1.04
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 51.04
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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Related Compounds

3-methyl-4-nitro-1-propyl-N-(pyridazin-3-ylmethyl)pyrazol-5-amine
CID 106896555
1,3-dimethyl-N-[(4-methylphenyl)methyl]-4-nitropyrazol-5-amine
CID 43533042
1,3-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]-4-nitropyrazol-5-amine
CID 60965735
[4-[[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]methyl]phenyl]methanol
CID 107232327
1,3-dimethyl-4-nitro-N-(1,3-thiazol-2-ylmethyl)pyrazol-5-amine
CID 61283486
N-[(2-chloro-4-pyridinyl)methyl]-1,3-dimethyl-4-nitropyrazol-5-amine
CID 125420653
1,3-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-nitropyrazol-5-amine
CID 63280496
2-methyl-3-nitro-N-(pyridazin-3-ylmethyl)aniline
CID 106896610
1-methyl-3-propan-2-yl-5-N-(pyridazin-3-ylmethyl)pyrazole-4,5-diamine
CID 106894776
1,3-dimethyl-4-nitro-N-[(2-phenoxyphenyl)methyl]pyrazol-5-amine
CID 71883178
1,3-dimethyl-4-nitro-N-[(2-phenyloxan-3-yl)methyl]pyrazol-5-amine
CID 47983510
1,3-dimethyl-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]-4-nitropyrazol-5-amine
CID 133375375

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-nitro-N-(pyridazin-3-ylmethyl)pyrazol-5-amine?
The IUPAC name of 1,3-dimethyl-4-nitro-N-(pyridazin-3-ylmethyl)pyrazol-5-amine (CID 106832693) is 1,3-dimethyl-4-nitro-N-(pyridazin-3-ylmethyl)pyrazol-5-amine.
What is the SMILES notation for 1,3-dimethyl-4-nitro-N-(pyridazin-3-ylmethyl)pyrazol-5-amine?
The canonical SMILES for 1,3-dimethyl-4-nitro-N-(pyridazin-3-ylmethyl)pyrazol-5-amine is Cc1nn(C)c(NCc2cccnn2)c1[N+](=O)[O-].
What is the InChIKey of 1,3-dimethyl-4-nitro-N-(pyridazin-3-ylmethyl)pyrazol-5-amine?
The InChIKey is MQIJCRBBGYSLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O2/c1-7-9(16(17)18)10(15(2)14-7)11-6-8-4-3-5-12-13-8/h3-5,11H,6H2,1-2H3.
What are the key properties of 1,3-dimethyl-4-nitro-N-(pyridazin-3-ylmethyl)pyrazol-5-amine?
1,3-dimethyl-4-nitro-N-(pyridazin-3-ylmethyl)pyrazol-5-amine has a molecular weight of 248.25 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-nitro-N-(pyridazin-3-ylmethyl)pyrazol-5-amine is sourced from PubChem (CID 106832693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).