2-[(2,6-dichlorophenyl)methyl]pyrazol-3-amine

C10H9Cl2N3 — CID 7131921

IUPAC2-[(2,6-dichlorophenyl)methyl]pyrazol-3-amine
SMILESNc1ccnn1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C10H9Cl2N3/c11-8-2-1-3-9(12)7(8)6-15-10(13)4-5-14-15/h1-5H,6,13H2
InChIKeyRBBUZPGMZQSXCP-UHFFFAOYSA-N
MW242.11 g/mol
LogP2.82
Rot. Bonds2

About 2-[(2,6-dichlorophenyl)methyl]pyrazol-3-amine

2-[(2,6-dichlorophenyl)methyl]pyrazol-3-amine (PubChem CID 7131921) has the molecular formula C10H9Cl2N3 and a molecular weight of 242.11 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methyl]pyrazol-3-amine
PubChem CID7131921
Molecular FormulaC10H9Cl2N3
Molecular Weight242.11 g/mol
Exact Mass241.02
IUPAC Name2-[(2,6-dichlorophenyl)methyl]pyrazol-3-amine
SMILESNc1ccnn1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C10H9Cl2N3/c11-8-2-1-3-9(12)7(8)6-15-10(13)4-5-14-15/h1-5H,6,13H2
InChIKeyRBBUZPGMZQSXCP-UHFFFAOYSA-N
XLogP2.82
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.11
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methyl]pyrazol-3-amine?
The IUPAC name of 2-[(2,6-dichlorophenyl)methyl]pyrazol-3-amine (CID 7131921) is 2-[(2,6-dichlorophenyl)methyl]pyrazol-3-amine.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methyl]pyrazol-3-amine?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methyl]pyrazol-3-amine is Nc1ccnn1Cc1c(Cl)cccc1Cl.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methyl]pyrazol-3-amine?
The InChIKey is RBBUZPGMZQSXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N3/c11-8-2-1-3-9(12)7(8)6-15-10(13)4-5-14-15/h1-5H,6,13H2.
What are the key properties of 2-[(2,6-dichlorophenyl)methyl]pyrazol-3-amine?
2-[(2,6-dichlorophenyl)methyl]pyrazol-3-amine has a molecular weight of 242.11 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methyl]pyrazol-3-amine is sourced from PubChem (CID 7131921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).