1-(2-chloro-4-nitrophenyl)-4-methylpyrazol-3-amine

C10H9ClN4O2 — CID 102942629

IUPAC1-(2-chloro-4-nitrophenyl)-4-methylpyrazol-3-amine
SMILESCc1cn(-c2ccc([N+](=O)[O-])cc2Cl)nc1N
InChIInChI=1S/C10H9ClN4O2/c1-6-5-14(13-10(6)12)9-3-2-7(15(16)17)4-8(9)11/h2-5H,1H3,(H2,12,13)
InChIKeyALRIBJJEJQPUCX-UHFFFAOYSA-N
MW252.66 g/mol
LogP2.32
Rot. Bonds2

About 1-(2-chloro-4-nitrophenyl)-4-methylpyrazol-3-amine

1-(2-chloro-4-nitrophenyl)-4-methylpyrazol-3-amine (PubChem CID 102942629) has the molecular formula C10H9ClN4O2 and a molecular weight of 252.66 g/mol. Its IUPAC name is 1-(2-chloro-4-nitrophenyl)-4-methylpyrazol-3-amine.

Molecular Properties

Compound Name1-(2-chloro-4-nitrophenyl)-4-methylpyrazol-3-amine
PubChem CID102942629
Molecular FormulaC10H9ClN4O2
Molecular Weight252.66 g/mol
Exact Mass252.04
IUPAC Name1-(2-chloro-4-nitrophenyl)-4-methylpyrazol-3-amine
SMILESCc1cn(-c2ccc([N+](=O)[O-])cc2Cl)nc1N
InChIInChI=1S/C10H9ClN4O2/c1-6-5-14(13-10(6)12)9-3-2-7(15(16)17)4-8(9)11/h2-5H,1H3,(H2,12,13)
InChIKeyALRIBJJEJQPUCX-UHFFFAOYSA-N
XLogP2.32
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.66
LogP ≤ 52.32
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

1-(2-chloro-4-nitrophenyl)-5-methylpyrazol-3-amine
CID 102942628
1-(2-chloro-4-nitrophenyl)-4-hydroxypyrazole-3-carboxylic acid
CID 43381235
1-(2-chloro-6-nitrophenyl)-4-methylpyrazol-3-amine
CID 102943145
1,4-bis(2-chloro-4-nitrophenyl)piperazine
CID 3829099
1-(2-chloro-4-nitrophenyl)-5-methyl-1,2,4-triazole
CID 134610331
4-(2-chloro-5-nitrophenyl)-1-methylpyrazol-3-amine
CID 157037280
aniline;1,2-dichloro-4-nitrobenzene
CID 86084076
N-[[1-(2-chloro-4-nitrophenyl)triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66205277
1-(2-chloro-4-nitrophenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 133053523
[3-methyl-1-(2-methyl-5-nitrophenyl)pyrazol-4-yl]methanamine
CID 84615052
1-(2-chloro-4-nitrophenyl)pyrrole-2,5-dione
CID 4120945
1-chloro-2-methyl-4-nitrobenzene;sulfane
CID 162192887

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-nitrophenyl)-4-methylpyrazol-3-amine?
The IUPAC name of 1-(2-chloro-4-nitrophenyl)-4-methylpyrazol-3-amine (CID 102942629) is 1-(2-chloro-4-nitrophenyl)-4-methylpyrazol-3-amine.
What is the SMILES notation for 1-(2-chloro-4-nitrophenyl)-4-methylpyrazol-3-amine?
The canonical SMILES for 1-(2-chloro-4-nitrophenyl)-4-methylpyrazol-3-amine is Cc1cn(-c2ccc([N+](=O)[O-])cc2Cl)nc1N.
What is the InChIKey of 1-(2-chloro-4-nitrophenyl)-4-methylpyrazol-3-amine?
The InChIKey is ALRIBJJEJQPUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O2/c1-6-5-14(13-10(6)12)9-3-2-7(15(16)17)4-8(9)11/h2-5H,1H3,(H2,12,13).
What are the key properties of 1-(2-chloro-4-nitrophenyl)-4-methylpyrazol-3-amine?
1-(2-chloro-4-nitrophenyl)-4-methylpyrazol-3-amine has a molecular weight of 252.66 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-nitrophenyl)-4-methylpyrazol-3-amine is sourced from PubChem (CID 102942629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).