5-methyl-2-(2,4,6-trichlorophenyl)pyrazol-3-amine

C10H8Cl3N3 — CID 2060032

IUPAC5-methyl-2-(2,4,6-trichlorophenyl)pyrazol-3-amine
SMILESCc1cc(N)n(-c2c(Cl)cc(Cl)cc2Cl)n1
InChIInChI=1S/C10H8Cl3N3/c1-5-2-9(14)16(15-5)10-7(12)3-6(11)4-8(10)13/h2-4H,14H2,1H3
InChIKeyABLOGSPAFQBNMG-UHFFFAOYSA-N
MW276.55 g/mol
LogP3.72
Rot. Bonds1

About 5-methyl-2-(2,4,6-trichlorophenyl)pyrazol-3-amine

5-methyl-2-(2,4,6-trichlorophenyl)pyrazol-3-amine (PubChem CID 2060032) has the molecular formula C10H8Cl3N3 and a molecular weight of 276.55 g/mol. Its IUPAC name is 5-methyl-2-(2,4,6-trichlorophenyl)pyrazol-3-amine.

Molecular Properties

Compound Name5-methyl-2-(2,4,6-trichlorophenyl)pyrazol-3-amine
PubChem CID2060032
Molecular FormulaC10H8Cl3N3
Molecular Weight276.55 g/mol
Exact Mass274.98
IUPAC Name5-methyl-2-(2,4,6-trichlorophenyl)pyrazol-3-amine
SMILESCc1cc(N)n(-c2c(Cl)cc(Cl)cc2Cl)n1
InChIInChI=1S/C10H8Cl3N3/c1-5-2-9(14)16(15-5)10-7(12)3-6(11)4-8(10)13/h2-4H,14H2,1H3
InChIKeyABLOGSPAFQBNMG-UHFFFAOYSA-N
XLogP3.72
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.55
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Amino-3-methyl-1-phenylpyrazole
CID 70801
1H-Pyrazol-5-amine, 1-(4-chlorophenyl)-3-methyl-
CID 170301
1-(3-chlorophenyl)-3-methyl-1H-pyrazol-5-amine
CID 1810630
1-(4-Chlorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea
CID 2813772
2-(3-chlorophenyl)-5-methyl-N-phenylpyrazol-3-amine
CID 2356925
N-(4-chlorophenyl)-5-methyl-2-phenylpyrazol-3-amine
CID 2400956
5-Amino-1-(4-chlorophenyl)-3-(cyanomethyl)pyrazole-4-carbonitrile
CID 2571179
(4-Chlorophenyl)[(5-imino-3-methyl-1-phenyl(1,2-diazolin-4-ylidene))azamethyl] amine
CID 4152276
1-(2-Tert-butyl-5-methylpyrazol-3-yl)-3-(4-chlorophenyl)urea
CID 2818792
3-tert-butyl-1-(3-chlorophenyl)-1H-pyrazol-5-amine
CID 2973588
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-methyl-1H-pyrazol-5-amine
CID 3279301
1-(2-Chlorophenyl)-3-methyl-1H-pyrazol-5-amine
CID 7176319

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(2,4,6-trichlorophenyl)pyrazol-3-amine?
The IUPAC name of 5-methyl-2-(2,4,6-trichlorophenyl)pyrazol-3-amine (CID 2060032) is 5-methyl-2-(2,4,6-trichlorophenyl)pyrazol-3-amine.
What is the SMILES notation for 5-methyl-2-(2,4,6-trichlorophenyl)pyrazol-3-amine?
The canonical SMILES for 5-methyl-2-(2,4,6-trichlorophenyl)pyrazol-3-amine is Cc1cc(N)n(-c2c(Cl)cc(Cl)cc2Cl)n1.
What is the InChIKey of 5-methyl-2-(2,4,6-trichlorophenyl)pyrazol-3-amine?
The InChIKey is ABLOGSPAFQBNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl3N3/c1-5-2-9(14)16(15-5)10-7(12)3-6(11)4-8(10)13/h2-4H,14H2,1H3.
What are the key properties of 5-methyl-2-(2,4,6-trichlorophenyl)pyrazol-3-amine?
5-methyl-2-(2,4,6-trichlorophenyl)pyrazol-3-amine has a molecular weight of 276.55 g/mol, XLogP of 3.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2,4,6-trichlorophenyl)pyrazol-3-amine is sourced from PubChem (CID 2060032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).