2-[4-[chloro(difluoro)methoxy]phenyl]-5-methylpyrazol-3-amine

C11H10ClF2N3O — CID 674107

IUPAC2-[4-[chloro(difluoro)methoxy]phenyl]-5-methylpyrazol-3-amine
SMILESCc1cc(N)n(-c2ccc(OC(F)(F)Cl)cc2)n1
InChIInChI=1S/C11H10ClF2N3O/c1-7-6-10(15)17(16-7)8-2-4-9(5-3-8)18-11(12,13)14/h2-6H,15H2,1H3
InChIKeyKRQQRYVKQVAQNH-UHFFFAOYSA-N
MW273.67 g/mol
LogP2.93
Rot. Bonds3

About 2-[4-[chloro(difluoro)methoxy]phenyl]-5-methylpyrazol-3-amine

2-[4-[chloro(difluoro)methoxy]phenyl]-5-methylpyrazol-3-amine (PubChem CID 674107) has the molecular formula C11H10ClF2N3O and a molecular weight of 273.67 g/mol. Its IUPAC name is 2-[4-[chloro(difluoro)methoxy]phenyl]-5-methylpyrazol-3-amine.

Molecular Properties

Compound Name2-[4-[chloro(difluoro)methoxy]phenyl]-5-methylpyrazol-3-amine
PubChem CID674107
Molecular FormulaC11H10ClF2N3O
Molecular Weight273.67 g/mol
Exact Mass273.05
IUPAC Name2-[4-[chloro(difluoro)methoxy]phenyl]-5-methylpyrazol-3-amine
SMILESCc1cc(N)n(-c2ccc(OC(F)(F)Cl)cc2)n1
InChIInChI=1S/C11H10ClF2N3O/c1-7-6-10(15)17(16-7)8-2-4-9(5-3-8)18-11(12,13)14/h2-6H,15H2,1H3
InChIKeyKRQQRYVKQVAQNH-UHFFFAOYSA-N
XLogP2.93
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.67
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[chloro(difluoro)methoxy]phenyl]-5-methylpyrazol-3-amine?
The IUPAC name of 2-[4-[chloro(difluoro)methoxy]phenyl]-5-methylpyrazol-3-amine (CID 674107) is 2-[4-[chloro(difluoro)methoxy]phenyl]-5-methylpyrazol-3-amine.
What is the SMILES notation for 2-[4-[chloro(difluoro)methoxy]phenyl]-5-methylpyrazol-3-amine?
The canonical SMILES for 2-[4-[chloro(difluoro)methoxy]phenyl]-5-methylpyrazol-3-amine is Cc1cc(N)n(-c2ccc(OC(F)(F)Cl)cc2)n1.
What is the InChIKey of 2-[4-[chloro(difluoro)methoxy]phenyl]-5-methylpyrazol-3-amine?
The InChIKey is KRQQRYVKQVAQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF2N3O/c1-7-6-10(15)17(16-7)8-2-4-9(5-3-8)18-11(12,13)14/h2-6H,15H2,1H3.
What are the key properties of 2-[4-[chloro(difluoro)methoxy]phenyl]-5-methylpyrazol-3-amine?
2-[4-[chloro(difluoro)methoxy]phenyl]-5-methylpyrazol-3-amine has a molecular weight of 273.67 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[chloro(difluoro)methoxy]phenyl]-5-methylpyrazol-3-amine is sourced from PubChem (CID 674107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).