1-[(2,4-dichlorophenyl)methyl]pyrazol-3-amine

C10H9Cl2N3 — CID 5302743

IUPAC1-[(2,4-dichlorophenyl)methyl]pyrazol-3-amine
SMILESNc1ccn(Cc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C10H9Cl2N3/c11-8-2-1-7(9(12)5-8)6-15-4-3-10(13)14-15/h1-5H,6H2,(H2,13,14)
InChIKeyWBQSPUUQWRMCAY-UHFFFAOYSA-N
MW242.11 g/mol
LogP2.82
Rot. Bonds2

About 1-[(2,4-dichlorophenyl)methyl]pyrazol-3-amine

1-[(2,4-dichlorophenyl)methyl]pyrazol-3-amine (PubChem CID 5302743) has the molecular formula C10H9Cl2N3 and a molecular weight of 242.11 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methyl]pyrazol-3-amine
PubChem CID5302743
Molecular FormulaC10H9Cl2N3
Molecular Weight242.11 g/mol
Exact Mass241.02
IUPAC Name1-[(2,4-dichlorophenyl)methyl]pyrazol-3-amine
SMILESNc1ccn(Cc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C10H9Cl2N3/c11-8-2-1-7(9(12)5-8)6-15-4-3-10(13)14-15/h1-5H,6H2,(H2,13,14)
InChIKeyWBQSPUUQWRMCAY-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 1-[(2,4-dichlorophenyl)methyl]pyrazol-3-amine?
The IUPAC name of 1-[(2,4-dichlorophenyl)methyl]pyrazol-3-amine (CID 5302743) is 1-[(2,4-dichlorophenyl)methyl]pyrazol-3-amine.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyl]pyrazol-3-amine?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methyl]pyrazol-3-amine is Nc1ccn(Cc2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]pyrazol-3-amine?
The InChIKey is WBQSPUUQWRMCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N3/c11-8-2-1-7(9(12)5-8)6-15-4-3-10(13)14-15/h1-5H,6H2,(H2,13,14).
What are the key properties of 1-[(2,4-dichlorophenyl)methyl]pyrazol-3-amine?
1-[(2,4-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 1-[(2,4-dichlorophenyl)methyl]pyrazol-3-amine is sourced from PubChem (CID 5302743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).