N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1,3,5-trimethylpyrazol-4-amine

C15H19F2N3O — CID 43204484

IUPACN-[1-[2-(difluoromethoxy)phenyl]ethyl]-1,3,5-trimethylpyrazol-4-amine
SMILESCc1nn(C)c(C)c1NC(C)c1ccccc1OC(F)F
InChIInChI=1S/C15H19F2N3O/c1-9(18-14-10(2)19-20(4)11(14)3)12-7-5-6-8-13(12)21-15(16)17/h5-9,15,18H,1-4H3
InChIKeyDUTWHKJDVAOKBA-UHFFFAOYSA-N
MW295.33 g/mol
LogP3.81
Rot. Bonds5

About N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1,3,5-trimethylpyrazol-4-amine

N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1,3,5-trimethylpyrazol-4-amine (PubChem CID 43204484) has the molecular formula C15H19F2N3O and a molecular weight of 295.33 g/mol. Its IUPAC name is N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1,3,5-trimethylpyrazol-4-amine.

Molecular Properties

Compound NameN-[1-[2-(difluoromethoxy)phenyl]ethyl]-1,3,5-trimethylpyrazol-4-amine
PubChem CID43204484
Molecular FormulaC15H19F2N3O
Molecular Weight295.33 g/mol
Exact Mass295.15
IUPAC NameN-[1-[2-(difluoromethoxy)phenyl]ethyl]-1,3,5-trimethylpyrazol-4-amine
SMILESCc1nn(C)c(C)c1NC(C)c1ccccc1OC(F)F
InChIInChI=1S/C15H19F2N3O/c1-9(18-14-10(2)19-20(4)11(14)3)12-7-5-6-8-13(12)21-15(16)17/h5-9,15,18H,1-4H3
InChIKeyDUTWHKJDVAOKBA-UHFFFAOYSA-N
XLogP3.81
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1,3,5-trimethylpyrazol-4-amine?
The IUPAC name of N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1,3,5-trimethylpyrazol-4-amine (CID 43204484) is N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1,3,5-trimethylpyrazol-4-amine.
What is the SMILES notation for N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1,3,5-trimethylpyrazol-4-amine?
The canonical SMILES for N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1,3,5-trimethylpyrazol-4-amine is Cc1nn(C)c(C)c1NC(C)c1ccccc1OC(F)F.
What is the InChIKey of N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1,3,5-trimethylpyrazol-4-amine?
The InChIKey is DUTWHKJDVAOKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3O/c1-9(18-14-10(2)19-20(4)11(14)3)12-7-5-6-8-13(12)21-15(16)17/h5-9,15,18H,1-4H3.
What are the key properties of N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1,3,5-trimethylpyrazol-4-amine?
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1,3,5-trimethylpyrazol-4-amine has a molecular weight of 295.33 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1,3,5-trimethylpyrazol-4-amine is sourced from PubChem (CID 43204484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).