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

C20H27F2N3O — CID 66665587

IUPAC1-[1-(1-cyclohexylethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(OCc2cc(F)ccc2F)n(C(C)C2CCCCC2)n1
InChIInChI=1S/C20H27F2N3O/c1-14(15-6-4-3-5-7-15)25-20(11-18(24-25)12-23-2)26-13-16-10-17(21)8-9-19(16)22/h8-11,14-15,23H,3-7,12-13H2,1-2H3
InChIKeyUKQIVHOFQOKKOW-UHFFFAOYSA-N
MW363.45 g/mol
LogP4.60
Rot. Bonds7

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

1-[1-(1-cyclohexylethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine (PubChem CID 66665587) has the molecular formula C20H27F2N3O and a molecular weight of 363.45 g/mol. Its IUPAC name is 1-[1-(1-cyclohexylethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(1-cyclohexylethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine
PubChem CID66665587
Molecular FormulaC20H27F2N3O
Molecular Weight363.45 g/mol
Exact Mass363.21
IUPAC Name1-[1-(1-cyclohexylethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(OCc2cc(F)ccc2F)n(C(C)C2CCCCC2)n1
InChIInChI=1S/C20H27F2N3O/c1-14(15-6-4-3-5-7-15)25-20(11-18(24-25)12-23-2)26-13-16-10-17(21)8-9-19(16)22/h8-11,14-15,23H,3-7,12-13H2,1-2H3
InChIKeyUKQIVHOFQOKKOW-UHFFFAOYSA-N
XLogP4.60
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-cyclohexylethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(1-cyclohexylethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine (CID 66665587) is 1-[1-(1-cyclohexylethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(1-cyclohexylethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(1-cyclohexylethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine is CNCc1cc(OCc2cc(F)ccc2F)n(C(C)C2CCCCC2)n1.
What is the InChIKey of 1-[1-(1-cyclohexylethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine?
The InChIKey is UKQIVHOFQOKKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F2N3O/c1-14(15-6-4-3-5-7-15)25-20(11-18(24-25)12-23-2)26-13-16-10-17(21)8-9-19(16)22/h8-11,14-15,23H,3-7,12-13H2,1-2H3.
What are the key properties of 1-[1-(1-cyclohexylethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine?
1-[1-(1-cyclohexylethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine has a molecular weight of 363.45 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-cyclohexylethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 66665587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).