1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-amine

C11H11Cl2N3 — CID 7017724

IUPAC1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-amine
SMILESCc1cc(N)nn1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C11H11Cl2N3/c1-7-5-11(14)15-16(7)6-8-9(12)3-2-4-10(8)13/h2-5H,6H2,1H3,(H2,14,15)
InChIKeyOXQFQKMBUFYKMI-UHFFFAOYSA-N
MW256.14 g/mol
LogP3.13
Rot. Bonds2

About 1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-amine

1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-amine (PubChem CID 7017724) has the molecular formula C11H11Cl2N3 and a molecular weight of 256.14 g/mol. Its IUPAC name is 1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-amine.

Molecular Properties

Compound Name1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-amine
PubChem CID7017724
Molecular FormulaC11H11Cl2N3
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-amine
SMILESCc1cc(N)nn1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C11H11Cl2N3/c1-7-5-11(14)15-16(7)6-8-9(12)3-2-4-10(8)13/h2-5H,6H2,1H3,(H2,14,15)
InChIKeyOXQFQKMBUFYKMI-UHFFFAOYSA-N
XLogP3.13
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-amine?
The IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-amine (CID 7017724) is 1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-amine.
What is the SMILES notation for 1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-amine?
The canonical SMILES for 1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-amine is Cc1cc(N)nn1Cc1c(Cl)cccc1Cl.
What is the InChIKey of 1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-amine?
The InChIKey is OXQFQKMBUFYKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3/c1-7-5-11(14)15-16(7)6-8-9(12)3-2-4-10(8)13/h2-5H,6H2,1H3,(H2,14,15).
What are the key properties of 1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-amine?
1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-amine has a molecular weight of 256.14 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-amine is sourced from PubChem (CID 7017724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).