N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-nitropyridin-4-amine

C13H17N5O2 — CID 47092350

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-nitropyridin-4-amine
SMILESCc1cc(C)n(CCCNc2ccncc2[N+](=O)[O-])n1
InChIInChI=1S/C13H17N5O2/c1-10-8-11(2)17(16-10)7-3-5-15-12-4-6-14-9-13(12)18(19)20/h4,6,8-9H,3,5,7H2,1-2H3,(H,14,15)
InChIKeyCVOTWSFWKOJYHK-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.31
Rot. Bonds6

About N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-nitropyridin-4-amine

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-nitropyridin-4-amine (PubChem CID 47092350) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-nitropyridin-4-amine.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-nitropyridin-4-amine
PubChem CID47092350
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-nitropyridin-4-amine
SMILESCc1cc(C)n(CCCNc2ccncc2[N+](=O)[O-])n1
InChIInChI=1S/C13H17N5O2/c1-10-8-11(2)17(16-10)7-3-5-15-12-4-6-14-9-13(12)18(19)20/h4,6,8-9H,3,5,7H2,1-2H3,(H,14,15)
InChIKeyCVOTWSFWKOJYHK-UHFFFAOYSA-N
XLogP2.31
TPSA85.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-nitropyridin-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

5-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-nitroaniline
CID 114537549
4-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyridine-3-carboxylic acid
CID 114537300
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-nitro-1H-pyrazol-5-amine
CID 4767618
N-(3-imidazol-1-ylpropyl)-3-nitropyridin-4-amine
CID 28994217
N-[3-(4-methylpiperazin-1-yl)propyl]-3-nitropyridin-4-amine
CID 134098351
3-nitro-N-(3-piperazin-1-ylpropyl)pyridin-4-amine
CID 43443436
4-[(3-nitro-4-pyridinyl)amino]butan-1-ol
CID 19864513
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methyl-3-[2-(2-nitroanilino)ethyl]guanidine;hydroiodide
CID 111279390
N-(5-methylhexyl)-3-nitropyridin-4-amine
CID 79003361
6-[(3-nitro-4-pyridinyl)amino]hexan-1-ol
CID 103918222
N-ethyl-N-[3-[(3-nitro-4-pyridinyl)amino]propyl]methanesulfonamide
CID 51892002
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methyl-5-nitroaniline
CID 114537666

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-nitropyridin-4-amine?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-nitropyridin-4-amine (CID 47092350) is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-nitropyridin-4-amine.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-nitropyridin-4-amine?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-nitropyridin-4-amine is Cc1cc(C)n(CCCNc2ccncc2[N+](=O)[O-])n1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-nitropyridin-4-amine?
The InChIKey is CVOTWSFWKOJYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-10-8-11(2)17(16-10)7-3-5-15-12-4-6-14-9-13(12)18(19)20/h4,6,8-9H,3,5,7H2,1-2H3,(H,14,15).
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-nitropyridin-4-amine?
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-nitropyridin-4-amine has a molecular weight of 275.31 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-nitropyridin-4-amine is sourced from PubChem (CID 47092350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).