N-[4-(difluoromethoxy)phenyl]-6-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazin-2-amine

C18H19F2N5O — CID 118094470

IUPACN-[4-(difluoromethoxy)phenyl]-6-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazin-2-amine
SMILESCCn1nc(C)c(-c2cncc(Nc3ccc(OC(F)F)cc3)n2)c1C
InChIInChI=1S/C18H19F2N5O/c1-4-25-12(3)17(11(2)24-25)15-9-21-10-16(23-15)22-13-5-7-14(8-6-13)26-18(19)20/h5-10,18H,4H2,1-3H3,(H,22,23)
InChIKeyAUYCCCHBLWEGRQ-UHFFFAOYSA-N
MW359.38 g/mol
LogP4.32
Rot. Bonds6

About N-[4-(difluoromethoxy)phenyl]-6-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazin-2-amine

N-[4-(difluoromethoxy)phenyl]-6-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazin-2-amine (PubChem CID 118094470) has the molecular formula C18H19F2N5O and a molecular weight of 359.38 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-6-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazin-2-amine.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-6-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazin-2-amine
PubChem CID118094470
Molecular FormulaC18H19F2N5O
Molecular Weight359.38 g/mol
Exact Mass359.16
IUPAC NameN-[4-(difluoromethoxy)phenyl]-6-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazin-2-amine
SMILESCCn1nc(C)c(-c2cncc(Nc3ccc(OC(F)F)cc3)n2)c1C
InChIInChI=1S/C18H19F2N5O/c1-4-25-12(3)17(11(2)24-25)15-9-21-10-16(23-15)22-13-5-7-14(8-6-13)26-18(19)20/h5-10,18H,4H2,1-3H3,(H,22,23)
InChIKeyAUYCCCHBLWEGRQ-UHFFFAOYSA-N
XLogP4.32
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-6-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazin-2-amine?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-6-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazin-2-amine (CID 118094470) is N-[4-(difluoromethoxy)phenyl]-6-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazin-2-amine.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-6-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazin-2-amine?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-6-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazin-2-amine is CCn1nc(C)c(-c2cncc(Nc3ccc(OC(F)F)cc3)n2)c1C.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-6-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazin-2-amine?
The InChIKey is AUYCCCHBLWEGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N5O/c1-4-25-12(3)17(11(2)24-25)15-9-21-10-16(23-15)22-13-5-7-14(8-6-13)26-18(19)20/h5-10,18H,4H2,1-3H3,(H,22,23).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-6-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazin-2-amine?
N-[4-(difluoromethoxy)phenyl]-6-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazin-2-amine has a molecular weight of 359.38 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-6-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazin-2-amine is sourced from PubChem (CID 118094470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).