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

C18H23F2N3O — CID 56600958

IUPAC1-[1-(cyclopentylmethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(OCc2cc(F)ccc2F)n(CC2CCCC2)n1
InChIInChI=1S/C18H23F2N3O/c1-21-10-16-9-18(23(22-16)11-13-4-2-3-5-13)24-12-14-8-15(19)6-7-17(14)20/h6-9,13,21H,2-5,10-12H2,1H3
InChIKeyZSTKTXKCOYZURU-UHFFFAOYSA-N
MW335.40 g/mol
LogP3.65
Rot. Bonds7

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

1-[1-(cyclopentylmethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine (PubChem CID 56600958) has the molecular formula C18H23F2N3O and a molecular weight of 335.40 g/mol. Its IUPAC name is 1-[1-(cyclopentylmethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(cyclopentylmethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine
PubChem CID56600958
Molecular FormulaC18H23F2N3O
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name1-[1-(cyclopentylmethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(OCc2cc(F)ccc2F)n(CC2CCCC2)n1
InChIInChI=1S/C18H23F2N3O/c1-21-10-16-9-18(23(22-16)11-13-4-2-3-5-13)24-12-14-8-15(19)6-7-17(14)20/h6-9,13,21H,2-5,10-12H2,1H3
InChIKeyZSTKTXKCOYZURU-UHFFFAOYSA-N
XLogP3.65
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopentylmethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(cyclopentylmethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine (CID 56600958) is 1-[1-(cyclopentylmethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(cyclopentylmethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(cyclopentylmethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine is CNCc1cc(OCc2cc(F)ccc2F)n(CC2CCCC2)n1.
What is the InChIKey of 1-[1-(cyclopentylmethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine?
The InChIKey is ZSTKTXKCOYZURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2N3O/c1-21-10-16-9-18(23(22-16)11-13-4-2-3-5-13)24-12-14-8-15(19)6-7-17(14)20/h6-9,13,21H,2-5,10-12H2,1H3.
What are the key properties of 1-[1-(cyclopentylmethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine?
1-[1-(cyclopentylmethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine has a molecular weight of 335.40 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopentylmethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 56600958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).