N-[(6-methyl-2-pyridinyl)methyl]-5-nitro-1H-pyrazol-4-amine

C10H11N5O2 — CID 115002821

IUPACN-[(6-methyl-2-pyridinyl)methyl]-5-nitro-1H-pyrazol-4-amine
SMILESCc1cccc(CNc2cn[nH]c2[N+](=O)[O-])n1
InChIInChI=1S/C10H11N5O2/c1-7-3-2-4-8(13-7)5-11-9-6-12-14-10(9)15(16)17/h2-4,6,11H,5H2,1H3,(H,12,14)
InChIKeyWGLKKMQGDRWYAT-UHFFFAOYSA-N
MW233.23 g/mol
LogP1.63
Rot. Bonds4

About N-[(6-methyl-2-pyridinyl)methyl]-5-nitro-1H-pyrazol-4-amine

N-[(6-methyl-2-pyridinyl)methyl]-5-nitro-1H-pyrazol-4-amine (PubChem CID 115002821) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is N-[(6-methyl-2-pyridinyl)methyl]-5-nitro-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN-[(6-methyl-2-pyridinyl)methyl]-5-nitro-1H-pyrazol-4-amine
PubChem CID115002821
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC NameN-[(6-methyl-2-pyridinyl)methyl]-5-nitro-1H-pyrazol-4-amine
SMILESCc1cccc(CNc2cn[nH]c2[N+](=O)[O-])n1
InChIInChI=1S/C10H11N5O2/c1-7-3-2-4-8(13-7)5-11-9-6-12-14-10(9)15(16)17/h2-4,6,11H,5H2,1H3,(H,12,14)
InChIKeyWGLKKMQGDRWYAT-UHFFFAOYSA-N
XLogP1.63
TPSA96.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 51.63
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-2-pyridinyl)methyl]-5-nitro-1H-pyrazol-4-amine?
The IUPAC name of N-[(6-methyl-2-pyridinyl)methyl]-5-nitro-1H-pyrazol-4-amine (CID 115002821) is N-[(6-methyl-2-pyridinyl)methyl]-5-nitro-1H-pyrazol-4-amine.
What is the SMILES notation for N-[(6-methyl-2-pyridinyl)methyl]-5-nitro-1H-pyrazol-4-amine?
The canonical SMILES for N-[(6-methyl-2-pyridinyl)methyl]-5-nitro-1H-pyrazol-4-amine is Cc1cccc(CNc2cn[nH]c2[N+](=O)[O-])n1.
What is the InChIKey of N-[(6-methyl-2-pyridinyl)methyl]-5-nitro-1H-pyrazol-4-amine?
The InChIKey is WGLKKMQGDRWYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2/c1-7-3-2-4-8(13-7)5-11-9-6-12-14-10(9)15(16)17/h2-4,6,11H,5H2,1H3,(H,12,14).
What are the key properties of N-[(6-methyl-2-pyridinyl)methyl]-5-nitro-1H-pyrazol-4-amine?
N-[(6-methyl-2-pyridinyl)methyl]-5-nitro-1H-pyrazol-4-amine has a molecular weight of 233.23 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-2-pyridinyl)methyl]-5-nitro-1H-pyrazol-4-amine is sourced from PubChem (CID 115002821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).