N-methyl-4-[(5-methyl-3-nitropyrazol-1-yl)methyl]pyridin-2-amine

C11H13N5O2 — CID 114253456

IUPACN-methyl-4-[(5-methyl-3-nitropyrazol-1-yl)methyl]pyridin-2-amine
SMILESCNc1cc(Cn2nc([N+](=O)[O-])cc2C)ccn1
InChIInChI=1S/C11H13N5O2/c1-8-5-11(16(17)18)14-15(8)7-9-3-4-13-10(6-9)12-2/h3-6H,7H2,1-2H3,(H,12,13)
InChIKeyGMJVOAMKPKFJLJ-UHFFFAOYSA-N
MW247.26 g/mol
LogP1.58
Rot. Bonds4

About N-methyl-4-[(5-methyl-3-nitropyrazol-1-yl)methyl]pyridin-2-amine

N-methyl-4-[(5-methyl-3-nitropyrazol-1-yl)methyl]pyridin-2-amine (PubChem CID 114253456) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is N-methyl-4-[(5-methyl-3-nitropyrazol-1-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-4-[(5-methyl-3-nitropyrazol-1-yl)methyl]pyridin-2-amine
PubChem CID114253456
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC NameN-methyl-4-[(5-methyl-3-nitropyrazol-1-yl)methyl]pyridin-2-amine
SMILESCNc1cc(Cn2nc([N+](=O)[O-])cc2C)ccn1
InChIInChI=1S/C11H13N5O2/c1-8-5-11(16(17)18)14-15(8)7-9-3-4-13-10(6-9)12-2/h3-6H,7H2,1-2H3,(H,12,13)
InChIKeyGMJVOAMKPKFJLJ-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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Related Compounds

N-methyl-5-[(5-methyl-3-nitropyrazol-1-yl)methyl]pyrazin-2-amine
CID 114253462
2-[(5-methyl-3-nitropyrazol-1-yl)methyl]pyridin-4-amine
CID 114253457
N-methyl-4-[(6-nitroindazol-1-yl)methyl]pyridin-2-amine
CID 62465969
1-(chloromethyl)-5-methyl-3-nitropyrazole
CID 7172341
(2R)-2-methyl-1-(5-methyl-3-nitropyrazol-1-yl)butan-2-ol
CID 99604140
4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-propylpyridin-2-amine
CID 62466158
2-(5-methyl-3-nitropyrazol-1-yl)-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide
CID 4555387
2,6-dichloro-3-[(5-methyl-3-nitropyrazol-1-yl)methyl]pyridine
CID 114253266
N-(2-chloro-4-nitrophenyl)-4-[(5-methyl-3-nitropyrazol-1-yl)methyl]benzamide
CID 23937075
1-[(2,3-dichlorophenyl)methyl]-5-methyl-3-nitropyrazole
CID 17386070
1-(ethylsulfanylmethyl)-5-methyl-3-nitropyrazole
CID 118976149
N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-3-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 19337976

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(5-methyl-3-nitropyrazol-1-yl)methyl]pyridin-2-amine?
The IUPAC name of N-methyl-4-[(5-methyl-3-nitropyrazol-1-yl)methyl]pyridin-2-amine (CID 114253456) is N-methyl-4-[(5-methyl-3-nitropyrazol-1-yl)methyl]pyridin-2-amine.
What is the SMILES notation for N-methyl-4-[(5-methyl-3-nitropyrazol-1-yl)methyl]pyridin-2-amine?
The canonical SMILES for N-methyl-4-[(5-methyl-3-nitropyrazol-1-yl)methyl]pyridin-2-amine is CNc1cc(Cn2nc([N+](=O)[O-])cc2C)ccn1.
What is the InChIKey of N-methyl-4-[(5-methyl-3-nitropyrazol-1-yl)methyl]pyridin-2-amine?
The InChIKey is GMJVOAMKPKFJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-8-5-11(16(17)18)14-15(8)7-9-3-4-13-10(6-9)12-2/h3-6H,7H2,1-2H3,(H,12,13).
What are the key properties of N-methyl-4-[(5-methyl-3-nitropyrazol-1-yl)methyl]pyridin-2-amine?
N-methyl-4-[(5-methyl-3-nitropyrazol-1-yl)methyl]pyridin-2-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-4-[(5-methyl-3-nitropyrazol-1-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 114253456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).