[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenyl]hydrazine

C11H10Cl2F2N4O — CID 22621703

IUPAC[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenyl]hydrazine
SMILESCn1nc(-c2ccc(Cl)c(NN)c2)c(Cl)c1OC(F)F
InChIInChI=1S/C11H10Cl2F2N4O/c1-19-10(20-11(14)15)8(13)9(18-19)5-2-3-6(12)7(4-5)17-16/h2-4,11,17H,16H2,1H3
InChIKeyWJRMCELNRMDTHV-UHFFFAOYSA-N
MW323.13 g/mol
LogP3.28
Rot. Bonds4

About [2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenyl]hydrazine

[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenyl]hydrazine (PubChem CID 22621703) has the molecular formula C11H10Cl2F2N4O and a molecular weight of 323.13 g/mol. Its IUPAC name is [2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenyl]hydrazine.

Molecular Properties

Compound Name[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenyl]hydrazine
PubChem CID22621703
Molecular FormulaC11H10Cl2F2N4O
Molecular Weight323.13 g/mol
Exact Mass322.02
IUPAC Name[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenyl]hydrazine
SMILESCn1nc(-c2ccc(Cl)c(NN)c2)c(Cl)c1OC(F)F
InChIInChI=1S/C11H10Cl2F2N4O/c1-19-10(20-11(14)15)8(13)9(18-19)5-2-3-6(12)7(4-5)17-16/h2-4,11,17H,16H2,1H3
InChIKeyWJRMCELNRMDTHV-UHFFFAOYSA-N
XLogP3.28
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.13
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenyl]hydrazine?
The IUPAC name of [2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenyl]hydrazine (CID 22621703) is [2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenyl]hydrazine.
What is the SMILES notation for [2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenyl]hydrazine?
The canonical SMILES for [2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenyl]hydrazine is Cn1nc(-c2ccc(Cl)c(NN)c2)c(Cl)c1OC(F)F.
What is the InChIKey of [2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenyl]hydrazine?
The InChIKey is WJRMCELNRMDTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2F2N4O/c1-19-10(20-11(14)15)8(13)9(18-19)5-2-3-6(12)7(4-5)17-16/h2-4,11,17H,16H2,1H3.
What are the key properties of [2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenyl]hydrazine?
[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenyl]hydrazine has a molecular weight of 323.13 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenyl]hydrazine is sourced from PubChem (CID 22621703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).