3-[chloro(difluoro)methoxy]-1-methylpyrazol-5-amine

C5H6ClF2N3O — CID 146278839

IUPAC3-[chloro(difluoro)methoxy]-1-methylpyrazol-5-amine
SMILESCn1nc(OC(F)(F)Cl)cc1N
InChIInChI=1S/C5H6ClF2N3O/c1-11-3(9)2-4(10-11)12-5(6,7)8/h2H,9H2,1H3
InChIKeyUEXITCMHNRBLBU-UHFFFAOYSA-N
MW197.57 g/mol
LogP1.17
Rot. Bonds2

About 3-[chloro(difluoro)methoxy]-1-methylpyrazol-5-amine

3-[chloro(difluoro)methoxy]-1-methylpyrazol-5-amine (PubChem CID 146278839) has the molecular formula C5H6ClF2N3O and a molecular weight of 197.57 g/mol. Its IUPAC name is 3-[chloro(difluoro)methoxy]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-[chloro(difluoro)methoxy]-1-methylpyrazol-5-amine
PubChem CID146278839
Molecular FormulaC5H6ClF2N3O
Molecular Weight197.57 g/mol
Exact Mass197.02
IUPAC Name3-[chloro(difluoro)methoxy]-1-methylpyrazol-5-amine
SMILESCn1nc(OC(F)(F)Cl)cc1N
InChIInChI=1S/C5H6ClF2N3O/c1-11-3(9)2-4(10-11)12-5(6,7)8/h2H,9H2,1H3
InChIKeyUEXITCMHNRBLBU-UHFFFAOYSA-N
XLogP1.17
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.57
LogP ≤ 51.17
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 3-[chloro(difluoro)methoxy]-1-methylpyrazol-5-amine?
The IUPAC name of 3-[chloro(difluoro)methoxy]-1-methylpyrazol-5-amine (CID 146278839) is 3-[chloro(difluoro)methoxy]-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-[chloro(difluoro)methoxy]-1-methylpyrazol-5-amine?
The canonical SMILES for 3-[chloro(difluoro)methoxy]-1-methylpyrazol-5-amine is Cn1nc(OC(F)(F)Cl)cc1N.
What is the InChIKey of 3-[chloro(difluoro)methoxy]-1-methylpyrazol-5-amine?
The InChIKey is UEXITCMHNRBLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClF2N3O/c1-11-3(9)2-4(10-11)12-5(6,7)8/h2H,9H2,1H3.
What are the key properties of 3-[chloro(difluoro)methoxy]-1-methylpyrazol-5-amine?
3-[chloro(difluoro)methoxy]-1-methylpyrazol-5-amine has a molecular weight of 197.57 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[chloro(difluoro)methoxy]-1-methylpyrazol-5-amine is sourced from PubChem (CID 146278839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).