2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-5-nitropyridine-3-carbonitrile

C11H10N6O2 — CID 62099209

IUPAC2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-5-nitropyridine-3-carbonitrile
SMILESCc1[nH]ncc1CNc1ncc([N+](=O)[O-])cc1C#N
InChIInChI=1S/C11H10N6O2/c1-7-9(5-15-16-7)4-13-11-8(3-12)2-10(6-14-11)17(18)19/h2,5-6H,4H2,1H3,(H,13,14)(H,15,16)
InChIKeyWOCUFCQCFCURER-UHFFFAOYSA-N
MW258.24 g/mol
LogP1.51
Rot. Bonds4

About 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-5-nitropyridine-3-carbonitrile

2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-5-nitropyridine-3-carbonitrile (PubChem CID 62099209) has the molecular formula C11H10N6O2 and a molecular weight of 258.24 g/mol. Its IUPAC name is 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-5-nitropyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-5-nitropyridine-3-carbonitrile
PubChem CID62099209
Molecular FormulaC11H10N6O2
Molecular Weight258.24 g/mol
Exact Mass258.09
IUPAC Name2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-5-nitropyridine-3-carbonitrile
SMILESCc1[nH]ncc1CNc1ncc([N+](=O)[O-])cc1C#N
InChIInChI=1S/C11H10N6O2/c1-7-9(5-15-16-7)4-13-11-8(3-12)2-10(6-14-11)17(18)19/h2,5-6H,4H2,1H3,(H,13,14)(H,15,16)
InChIKeyWOCUFCQCFCURER-UHFFFAOYSA-N
XLogP1.51
TPSA120.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 51.51
H-Bond Donors ≤ 52
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'}

Analyze 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-5-nitropyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-nitro-2-(propylamino)pyridine-3-carbonitrile
CID 25197726
2-[(4-cyanophenyl)methylamino]-5-nitropyridine-3-carbonitrile
CID 60964527
2-[(4-chlorophenyl)methylamino]-5-nitropyridine-3-carbonitrile
CID 60678662
2-[(4-hydroxyphenyl)methylamino]-5-nitropyridine-3-carbonitrile
CID 115618350
2-[(2-bromo-5-fluorophenyl)methylamino]-5-nitropyridine-3-carbonitrile
CID 60968029
5-nitro-2-(1,3-thiazol-5-ylmethylamino)pyridine-3-carbonitrile
CID 113428816
2-(2-methylsulfanylethylamino)-5-nitropyridine-3-carbonitrile
CID 60677777
2-(2-aminopropylamino)-5-nitropyridine-3-carbonitrile
CID 63732552
2-[(3-methyl-2-propan-2-ylbutyl)amino]-5-nitropyridine-3-carbonitrile
CID 102913997
2-(4-hydroxypentylamino)-5-nitropyridine-3-carbonitrile
CID 107269311
5-nitro-2-(pyridin-3-ylmethylamino)pyridine-3-carbonitrile
CID 55021305
2-[(6-methoxy-3-pyridinyl)methylamino]-5-nitropyridine-3-carbonitrile
CID 60710968

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-5-nitropyridine-3-carbonitrile?
The IUPAC name of 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-5-nitropyridine-3-carbonitrile (CID 62099209) is 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-5-nitropyridine-3-carbonitrile.
What is the SMILES notation for 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-5-nitropyridine-3-carbonitrile?
The canonical SMILES for 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-5-nitropyridine-3-carbonitrile is Cc1[nH]ncc1CNc1ncc([N+](=O)[O-])cc1C#N.
What is the InChIKey of 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-5-nitropyridine-3-carbonitrile?
The InChIKey is WOCUFCQCFCURER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6O2/c1-7-9(5-15-16-7)4-13-11-8(3-12)2-10(6-14-11)17(18)19/h2,5-6H,4H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-5-nitropyridine-3-carbonitrile?
2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-5-nitropyridine-3-carbonitrile has a molecular weight of 258.24 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-5-nitropyridine-3-carbonitrile is sourced from PubChem (CID 62099209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).