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'}

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

N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-nitro-1H-pyrazol-4-amine
CID 82238106
N-[(4-methoxyphenyl)methyl]-5-nitro-1H-pyrazol-4-amine
CID 114989818
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-nitro-1H-pyrazol-4-amine
CID 82238110
2,6-difluoro-N-[(6-methyl-2-pyridinyl)methyl]-4-nitroaniline
CID 103828478
2-(difluoromethyl)-N-[(6-methyl-2-pyridinyl)methyl]-4-nitroaniline
CID 63735296
N-methyl-2-[(5-nitro-1H-pyrazol-4-yl)amino]acetamide
CID 82238086
N',N'-dimethyl-N-(5-nitro-1H-pyrazol-4-yl)propane-1,3-diamine
CID 114988005
1-(4-methyl-3-nitrophenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 60960854
2,4-dimethyl-N-[(6-methyl-2-pyridinyl)methyl]aniline
CID 79267404
2-ethylsulfonyl-N-[(6-methyl-2-pyridinyl)methyl]aniline
CID 62307879
N-[(6-methyl-2-pyridinyl)methyl]-2-propylsulfonylaniline
CID 62307021
1-(6-methyl-2-pyridinyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 15491901

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).