1-[5-[(5-chloro-2-fluorophenyl)methoxy]-1-(oxan-2-ylmethyl)pyrazol-3-yl]-N-methylmethanamine

C18H23ClFN3O2 — CID 66665108

IUPAC1-[5-[(5-chloro-2-fluorophenyl)methoxy]-1-(oxan-2-ylmethyl)pyrazol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(OCc2cc(Cl)ccc2F)n(CC2CCCCO2)n1
InChIInChI=1S/C18H23ClFN3O2/c1-21-10-15-9-18(23(22-15)11-16-4-2-3-7-24-16)25-12-13-8-14(19)5-6-17(13)20/h5-6,8-9,16,21H,2-4,7,10-12H2,1H3
InChIKeyDSVGLKFGYJUKKG-UHFFFAOYSA-N
MW367.85 g/mol
LogP3.54
Rot. Bonds7

About 1-[5-[(5-chloro-2-fluorophenyl)methoxy]-1-(oxan-2-ylmethyl)pyrazol-3-yl]-N-methylmethanamine

1-[5-[(5-chloro-2-fluorophenyl)methoxy]-1-(oxan-2-ylmethyl)pyrazol-3-yl]-N-methylmethanamine (PubChem CID 66665108) has the molecular formula C18H23ClFN3O2 and a molecular weight of 367.85 g/mol. Its IUPAC name is 1-[5-[(5-chloro-2-fluorophenyl)methoxy]-1-(oxan-2-ylmethyl)pyrazol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-[(5-chloro-2-fluorophenyl)methoxy]-1-(oxan-2-ylmethyl)pyrazol-3-yl]-N-methylmethanamine
PubChem CID66665108
Molecular FormulaC18H23ClFN3O2
Molecular Weight367.85 g/mol
Exact Mass367.15
IUPAC Name1-[5-[(5-chloro-2-fluorophenyl)methoxy]-1-(oxan-2-ylmethyl)pyrazol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(OCc2cc(Cl)ccc2F)n(CC2CCCCO2)n1
InChIInChI=1S/C18H23ClFN3O2/c1-21-10-15-9-18(23(22-15)11-16-4-2-3-7-24-16)25-12-13-8-14(19)5-6-17(13)20/h5-6,8-9,16,21H,2-4,7,10-12H2,1H3
InChIKeyDSVGLKFGYJUKKG-UHFFFAOYSA-N
XLogP3.54
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.85
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[(5-chloro-2-fluorophenyl)methoxy]-1-(oxan-2-ylmethyl)pyrazol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-[(5-chloro-2-fluorophenyl)methoxy]-1-(oxan-2-ylmethyl)pyrazol-3-yl]-N-methylmethanamine (CID 66665108) is 1-[5-[(5-chloro-2-fluorophenyl)methoxy]-1-(oxan-2-ylmethyl)pyrazol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-[(5-chloro-2-fluorophenyl)methoxy]-1-(oxan-2-ylmethyl)pyrazol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-[(5-chloro-2-fluorophenyl)methoxy]-1-(oxan-2-ylmethyl)pyrazol-3-yl]-N-methylmethanamine is CNCc1cc(OCc2cc(Cl)ccc2F)n(CC2CCCCO2)n1.
What is the InChIKey of 1-[5-[(5-chloro-2-fluorophenyl)methoxy]-1-(oxan-2-ylmethyl)pyrazol-3-yl]-N-methylmethanamine?
The InChIKey is DSVGLKFGYJUKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClFN3O2/c1-21-10-15-9-18(23(22-15)11-16-4-2-3-7-24-16)25-12-13-8-14(19)5-6-17(13)20/h5-6,8-9,16,21H,2-4,7,10-12H2,1H3.
What are the key properties of 1-[5-[(5-chloro-2-fluorophenyl)methoxy]-1-(oxan-2-ylmethyl)pyrazol-3-yl]-N-methylmethanamine?
1-[5-[(5-chloro-2-fluorophenyl)methoxy]-1-(oxan-2-ylmethyl)pyrazol-3-yl]-N-methylmethanamine has a molecular weight of 367.85 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(5-chloro-2-fluorophenyl)methoxy]-1-(oxan-2-ylmethyl)pyrazol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 66665108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).