N-methyl-2-[(4-methyl-3-nitropyrazol-1-yl)methyl]pyridin-4-amine

C11H13N5O2 — CID 79250794

IUPACN-methyl-2-[(4-methyl-3-nitropyrazol-1-yl)methyl]pyridin-4-amine
SMILESCNc1ccnc(Cn2cc(C)c([N+](=O)[O-])n2)c1
InChIInChI=1S/C11H13N5O2/c1-8-6-15(14-11(8)16(17)18)7-10-5-9(12-2)3-4-13-10/h3-6H,7H2,1-2H3,(H,12,13)
InChIKeyOYLRIFNBEGWZBL-UHFFFAOYSA-N
MW247.26 g/mol
LogP1.58
Rot. Bonds4

About N-methyl-2-[(4-methyl-3-nitropyrazol-1-yl)methyl]pyridin-4-amine

N-methyl-2-[(4-methyl-3-nitropyrazol-1-yl)methyl]pyridin-4-amine (PubChem CID 79250794) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is N-methyl-2-[(4-methyl-3-nitropyrazol-1-yl)methyl]pyridin-4-amine.

Molecular Properties

Compound NameN-methyl-2-[(4-methyl-3-nitropyrazol-1-yl)methyl]pyridin-4-amine
PubChem CID79250794
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC NameN-methyl-2-[(4-methyl-3-nitropyrazol-1-yl)methyl]pyridin-4-amine
SMILESCNc1ccnc(Cn2cc(C)c([N+](=O)[O-])n2)c1
InChIInChI=1S/C11H13N5O2/c1-8-6-15(14-11(8)16(17)18)7-10-5-9(12-2)3-4-13-10/h3-6H,7H2,1-2H3,(H,12,13)
InChIKeyOYLRIFNBEGWZBL-UHFFFAOYSA-N
XLogP1.58
TPSA85.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 51.58
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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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(4-methyl-3-nitropyrazol-1-yl)methyl]pyridin-4-amine?
The IUPAC name of N-methyl-2-[(4-methyl-3-nitropyrazol-1-yl)methyl]pyridin-4-amine (CID 79250794) is N-methyl-2-[(4-methyl-3-nitropyrazol-1-yl)methyl]pyridin-4-amine.
What is the SMILES notation for N-methyl-2-[(4-methyl-3-nitropyrazol-1-yl)methyl]pyridin-4-amine?
The canonical SMILES for N-methyl-2-[(4-methyl-3-nitropyrazol-1-yl)methyl]pyridin-4-amine is CNc1ccnc(Cn2cc(C)c([N+](=O)[O-])n2)c1.
What is the InChIKey of N-methyl-2-[(4-methyl-3-nitropyrazol-1-yl)methyl]pyridin-4-amine?
The InChIKey is OYLRIFNBEGWZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-8-6-15(14-11(8)16(17)18)7-10-5-9(12-2)3-4-13-10/h3-6H,7H2,1-2H3,(H,12,13).
What are the key properties of N-methyl-2-[(4-methyl-3-nitropyrazol-1-yl)methyl]pyridin-4-amine?
N-methyl-2-[(4-methyl-3-nitropyrazol-1-yl)methyl]pyridin-4-amine has a molecular weight of 247.26 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(4-methyl-3-nitropyrazol-1-yl)methyl]pyridin-4-amine is sourced from PubChem (CID 79250794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).