N-(2-chloro-6-nitrophenyl)-1-methylpyrazol-3-amine

C10H9ClN4O2 — CID 79778291

IUPACN-(2-chloro-6-nitrophenyl)-1-methylpyrazol-3-amine
SMILESCn1ccc(Nc2c(Cl)cccc2[N+](=O)[O-])n1
InChIInChI=1S/C10H9ClN4O2/c1-14-6-5-9(13-14)12-10-7(11)3-2-4-8(10)15(16)17/h2-6H,1H3,(H,12,13)
InChIKeyXDCGGUOGZMTUNZ-UHFFFAOYSA-N
MW252.66 g/mol
LogP2.73
Rot. Bonds3

About N-(2-chloro-6-nitrophenyl)-1-methylpyrazol-3-amine

N-(2-chloro-6-nitrophenyl)-1-methylpyrazol-3-amine (PubChem CID 79778291) has the molecular formula C10H9ClN4O2 and a molecular weight of 252.66 g/mol. Its IUPAC name is N-(2-chloro-6-nitrophenyl)-1-methylpyrazol-3-amine.

Molecular Properties

Compound NameN-(2-chloro-6-nitrophenyl)-1-methylpyrazol-3-amine
PubChem CID79778291
Molecular FormulaC10H9ClN4O2
Molecular Weight252.66 g/mol
Exact Mass252.04
IUPAC NameN-(2-chloro-6-nitrophenyl)-1-methylpyrazol-3-amine
SMILESCn1ccc(Nc2c(Cl)cccc2[N+](=O)[O-])n1
InChIInChI=1S/C10H9ClN4O2/c1-14-6-5-9(13-14)12-10-7(11)3-2-4-8(10)15(16)17/h2-6H,1H3,(H,12,13)
InChIKeyXDCGGUOGZMTUNZ-UHFFFAOYSA-N
XLogP2.73
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.66
LogP ≤ 52.73
H-Bond Donors ≤ 51
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'}

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Related Compounds

2-hydrazinyl-N-(1-methylpyrazol-3-yl)-3-nitrobenzamide
CID 113355013
5-methyl-N-(1-methylpyrazol-3-yl)-4-nitropyridin-2-amine
CID 83266661
1-methyl-N-(4-methyl-3-nitrophenyl)pyrazol-3-amine
CID 79779512
N-(4-fluoro-2-nitrophenyl)-1-methylpyrazol-3-amine
CID 115574116
1-methyl-N-[1-(2-nitrophenyl)ethyl]pyrazol-3-amine
CID 60808344
2-chloro-N-(2-imidazol-1-ylethyl)-6-nitroaniline
CID 62084776
N-(1-methylpyrazol-3-yl)-2-(2-nitrophenyl)acetamide
CID 16962879
N-(1-methylpyrazol-3-yl)-5-nitropyrimidin-2-amine
CID 79779100
2-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]-6-nitroaniline
CID 62084074
6-chloro-N-(1-methylpyrazol-3-yl)pyridin-2-amine
CID 79778392
1-N-(2-chloro-6-nitrophenyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 55032974
2-N-(1-methylpyrazol-3-yl)-3-nitro-6-N-propylpyridine-2,6-diamine
CID 80849234

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-nitrophenyl)-1-methylpyrazol-3-amine?
The IUPAC name of N-(2-chloro-6-nitrophenyl)-1-methylpyrazol-3-amine (CID 79778291) is N-(2-chloro-6-nitrophenyl)-1-methylpyrazol-3-amine.
What is the SMILES notation for N-(2-chloro-6-nitrophenyl)-1-methylpyrazol-3-amine?
The canonical SMILES for N-(2-chloro-6-nitrophenyl)-1-methylpyrazol-3-amine is Cn1ccc(Nc2c(Cl)cccc2[N+](=O)[O-])n1.
What is the InChIKey of N-(2-chloro-6-nitrophenyl)-1-methylpyrazol-3-amine?
The InChIKey is XDCGGUOGZMTUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O2/c1-14-6-5-9(13-14)12-10-7(11)3-2-4-8(10)15(16)17/h2-6H,1H3,(H,12,13).
What are the key properties of N-(2-chloro-6-nitrophenyl)-1-methylpyrazol-3-amine?
N-(2-chloro-6-nitrophenyl)-1-methylpyrazol-3-amine has a molecular weight of 252.66 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-nitrophenyl)-1-methylpyrazol-3-amine is sourced from PubChem (CID 79778291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).