1-[2-[5-[(2,5-difluorophenyl)methoxy]-3-(methylaminomethyl)pyrazol-1-yl]ethyl]cyclopentan-1-ol;hydrochloride

C19H26ClF2N3O2 — CID 66665590

IUPAC1-[2-[5-[(2,5-difluorophenyl)methoxy]-3-(methylaminomethyl)pyrazol-1-yl]ethyl]cyclopentan-1-ol;hydrochloride
SMILESCNCc1cc(OCc2cc(F)ccc2F)n(CCC2(O)CCCC2)n1.Cl
InChIInChI=1S/C19H25F2N3O2.ClH/c1-22-12-16-11-18(26-13-14-10-15(20)4-5-17(14)21)24(23-16)9-8-19(25)6-2-3-7-19;/h4-5,10-11,22,25H,2-3,6-9,12-13H2,1H3;1H
InChIKeyQDVLGIBAYRZBDT-UHFFFAOYSA-N
MW401.89 g/mol
LogP3.58
Rot. Bonds8

About 1-[2-[5-[(2,5-difluorophenyl)methoxy]-3-(methylaminomethyl)pyrazol-1-yl]ethyl]cyclopentan-1-ol;hydrochloride

1-[2-[5-[(2,5-difluorophenyl)methoxy]-3-(methylaminomethyl)pyrazol-1-yl]ethyl]cyclopentan-1-ol;hydrochloride (PubChem CID 66665590) has the molecular formula C19H26ClF2N3O2 and a molecular weight of 401.89 g/mol. Its IUPAC name is 1-[2-[5-[(2,5-difluorophenyl)methoxy]-3-(methylaminomethyl)pyrazol-1-yl]ethyl]cyclopentan-1-ol;hydrochloride.

Molecular Properties

Compound Name1-[2-[5-[(2,5-difluorophenyl)methoxy]-3-(methylaminomethyl)pyrazol-1-yl]ethyl]cyclopentan-1-ol;hydrochloride
PubChem CID66665590
Molecular FormulaC19H26ClF2N3O2
Molecular Weight401.89 g/mol
Exact Mass401.17
IUPAC Name1-[2-[5-[(2,5-difluorophenyl)methoxy]-3-(methylaminomethyl)pyrazol-1-yl]ethyl]cyclopentan-1-ol;hydrochloride
SMILESCNCc1cc(OCc2cc(F)ccc2F)n(CCC2(O)CCCC2)n1.Cl
InChIInChI=1S/C19H25F2N3O2.ClH/c1-22-12-16-11-18(26-13-14-10-15(20)4-5-17(14)21)24(23-16)9-8-19(25)6-2-3-7-19;/h4-5,10-11,22,25H,2-3,6-9,12-13H2,1H3;1H
InChIKeyQDVLGIBAYRZBDT-UHFFFAOYSA-N
XLogP3.58
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.89
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-[(2,5-difluorophenyl)methoxy]-3-(methylaminomethyl)pyrazol-1-yl]ethyl]cyclopentan-1-ol;hydrochloride?
The IUPAC name of 1-[2-[5-[(2,5-difluorophenyl)methoxy]-3-(methylaminomethyl)pyrazol-1-yl]ethyl]cyclopentan-1-ol;hydrochloride (CID 66665590) is 1-[2-[5-[(2,5-difluorophenyl)methoxy]-3-(methylaminomethyl)pyrazol-1-yl]ethyl]cyclopentan-1-ol;hydrochloride.
What is the SMILES notation for 1-[2-[5-[(2,5-difluorophenyl)methoxy]-3-(methylaminomethyl)pyrazol-1-yl]ethyl]cyclopentan-1-ol;hydrochloride?
The canonical SMILES for 1-[2-[5-[(2,5-difluorophenyl)methoxy]-3-(methylaminomethyl)pyrazol-1-yl]ethyl]cyclopentan-1-ol;hydrochloride is CNCc1cc(OCc2cc(F)ccc2F)n(CCC2(O)CCCC2)n1.Cl.
What is the InChIKey of 1-[2-[5-[(2,5-difluorophenyl)methoxy]-3-(methylaminomethyl)pyrazol-1-yl]ethyl]cyclopentan-1-ol;hydrochloride?
The InChIKey is QDVLGIBAYRZBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F2N3O2.ClH/c1-22-12-16-11-18(26-13-14-10-15(20)4-5-17(14)21)24(23-16)9-8-19(25)6-2-3-7-19;/h4-5,10-11,22,25H,2-3,6-9,12-13H2,1H3;1H.
What are the key properties of 1-[2-[5-[(2,5-difluorophenyl)methoxy]-3-(methylaminomethyl)pyrazol-1-yl]ethyl]cyclopentan-1-ol;hydrochloride?
1-[2-[5-[(2,5-difluorophenyl)methoxy]-3-(methylaminomethyl)pyrazol-1-yl]ethyl]cyclopentan-1-ol;hydrochloride has a molecular weight of 401.89 g/mol, XLogP of 3.58, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-[(2,5-difluorophenyl)methoxy]-3-(methylaminomethyl)pyrazol-1-yl]ethyl]cyclopentan-1-ol;hydrochloride is sourced from PubChem (CID 66665590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).