1-[5-[(2,5-difluorophenyl)methoxy]-1-(3-ethylpentyl)pyrazol-3-yl]-N-methylmethanamine

C19H27F2N3O — CID 164607418

IUPAC1-[5-[(2,5-difluorophenyl)methoxy]-1-(3-ethylpentyl)pyrazol-3-yl]-N-methylmethanamine
SMILESCCC(CC)CCn1nc(CNC)cc1OCc1cc(F)ccc1F
InChIInChI=1S/C19H27F2N3O/c1-4-14(5-2)8-9-24-19(11-17(23-24)12-22-3)25-13-15-10-16(20)6-7-18(15)21/h6-7,10-11,14,22H,4-5,8-9,12-13H2,1-3H3
InChIKeyQQEJMGKNJFUIFV-UHFFFAOYSA-N
MW351.44 g/mol
LogP4.29
Rot. Bonds10

About 1-[5-[(2,5-difluorophenyl)methoxy]-1-(3-ethylpentyl)pyrazol-3-yl]-N-methylmethanamine

1-[5-[(2,5-difluorophenyl)methoxy]-1-(3-ethylpentyl)pyrazol-3-yl]-N-methylmethanamine (PubChem CID 164607418) has the molecular formula C19H27F2N3O and a molecular weight of 351.44 g/mol. Its IUPAC name is 1-[5-[(2,5-difluorophenyl)methoxy]-1-(3-ethylpentyl)pyrazol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-[(2,5-difluorophenyl)methoxy]-1-(3-ethylpentyl)pyrazol-3-yl]-N-methylmethanamine
PubChem CID164607418
Molecular FormulaC19H27F2N3O
Molecular Weight351.44 g/mol
Exact Mass351.21
IUPAC Name1-[5-[(2,5-difluorophenyl)methoxy]-1-(3-ethylpentyl)pyrazol-3-yl]-N-methylmethanamine
SMILESCCC(CC)CCn1nc(CNC)cc1OCc1cc(F)ccc1F
InChIInChI=1S/C19H27F2N3O/c1-4-14(5-2)8-9-24-19(11-17(23-24)12-22-3)25-13-15-10-16(20)6-7-18(15)21/h6-7,10-11,14,22H,4-5,8-9,12-13H2,1-3H3
InChIKeyQQEJMGKNJFUIFV-UHFFFAOYSA-N
XLogP4.29
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[(2,5-difluorophenyl)methoxy]-1-(3-ethylpentyl)pyrazol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-[(2,5-difluorophenyl)methoxy]-1-(3-ethylpentyl)pyrazol-3-yl]-N-methylmethanamine (CID 164607418) is 1-[5-[(2,5-difluorophenyl)methoxy]-1-(3-ethylpentyl)pyrazol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-[(2,5-difluorophenyl)methoxy]-1-(3-ethylpentyl)pyrazol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-[(2,5-difluorophenyl)methoxy]-1-(3-ethylpentyl)pyrazol-3-yl]-N-methylmethanamine is CCC(CC)CCn1nc(CNC)cc1OCc1cc(F)ccc1F.
What is the InChIKey of 1-[5-[(2,5-difluorophenyl)methoxy]-1-(3-ethylpentyl)pyrazol-3-yl]-N-methylmethanamine?
The InChIKey is QQEJMGKNJFUIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F2N3O/c1-4-14(5-2)8-9-24-19(11-17(23-24)12-22-3)25-13-15-10-16(20)6-7-18(15)21/h6-7,10-11,14,22H,4-5,8-9,12-13H2,1-3H3.
What are the key properties of 1-[5-[(2,5-difluorophenyl)methoxy]-1-(3-ethylpentyl)pyrazol-3-yl]-N-methylmethanamine?
1-[5-[(2,5-difluorophenyl)methoxy]-1-(3-ethylpentyl)pyrazol-3-yl]-N-methylmethanamine has a molecular weight of 351.44 g/mol, XLogP of 4.29, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(2,5-difluorophenyl)methoxy]-1-(3-ethylpentyl)pyrazol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 164607418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).