[1-(cyclopentylmethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]methanamine;hydrochloride

C17H22ClF2N3O — CID 66664847

IUPAC[1-(cyclopentylmethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]methanamine;hydrochloride
SMILESCl.NCc1cc(OCc2cc(F)ccc2F)n(CC2CCCC2)n1
InChIInChI=1S/C17H21F2N3O.ClH/c18-14-5-6-16(19)13(7-14)11-23-17-8-15(9-20)21-22(17)10-12-3-1-2-4-12;/h5-8,12H,1-4,9-11,20H2;1H
InChIKeyOYMHATUKECDTTO-UHFFFAOYSA-N
MW357.83 g/mol
LogP3.81
Rot. Bonds6

About [1-(cyclopentylmethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]methanamine;hydrochloride

[1-(cyclopentylmethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]methanamine;hydrochloride (PubChem CID 66664847) has the molecular formula C17H22ClF2N3O and a molecular weight of 357.83 g/mol. Its IUPAC name is [1-(cyclopentylmethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-(cyclopentylmethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]methanamine;hydrochloride
PubChem CID66664847
Molecular FormulaC17H22ClF2N3O
Molecular Weight357.83 g/mol
Exact Mass357.14
IUPAC Name[1-(cyclopentylmethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]methanamine;hydrochloride
SMILESCl.NCc1cc(OCc2cc(F)ccc2F)n(CC2CCCC2)n1
InChIInChI=1S/C17H21F2N3O.ClH/c18-14-5-6-16(19)13(7-14)11-23-17-8-15(9-20)21-22(17)10-12-3-1-2-4-12;/h5-8,12H,1-4,9-11,20H2;1H
InChIKeyOYMHATUKECDTTO-UHFFFAOYSA-N
XLogP3.81
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.83
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclohexylmethyl)-5-[(2-fluoro-5-methylphenyl)methoxy]-3-propylpyrazole;hydrochloride
CID 157328171
1-[1-(cyclohexylmethyl)-5-[(2-fluoro-5-methylphenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine;hydrochloride
CID 66665525
[5-[(2,5-difluorophenyl)methoxy]-1-(3-methylbutyl)pyrazol-3-yl]methanamine
CID 66665037
5-[(2-chloro-4-fluorophenyl)methoxy]-1-(cyclopentylmethyl)-3-propylpyrazole
CID 162239924
2-[[1-(cyclohexylmethyl)-3-(methylaminomethyl)pyrazol-5-yl]oxymethyl]-5-fluorobenzonitrile
CID 66665101
1-[1-(cyclopentylmethyl)-5-[(2-fluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine;2,2,2-trifluoroacetic acid
CID 66665335
1-[2-[5-[(2,5-difluorophenyl)methoxy]-3-(methylaminomethyl)pyrazol-1-yl]ethyl]cyclopentan-1-ol;hydrochloride
CID 66665590
5-[(2,5-difluorophenyl)methoxy]-1-(3-fluoro-3-methylbutyl)-3-propylpyrazole;hydrochloride
CID 158887581
5-[(4-fluoro-2-methylphenyl)methoxy]-1-(oxan-2-ylmethyl)-3-propylpyrazole
CID 158589704
1-[1-(cyclopentylmethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine
CID 66665075
[1-[(2,5-difluorophenyl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride
CID 119925929
dideuterio-[5-[dideuterio-(2,5-difluorophenyl)methoxy]-1-(2-methylpropyl)pyrazol-3-yl]methanamine
CID 175853426

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopentylmethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]methanamine;hydrochloride?
The IUPAC name of [1-(cyclopentylmethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]methanamine;hydrochloride (CID 66664847) is [1-(cyclopentylmethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-(cyclopentylmethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]methanamine;hydrochloride?
The canonical SMILES for [1-(cyclopentylmethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]methanamine;hydrochloride is Cl.NCc1cc(OCc2cc(F)ccc2F)n(CC2CCCC2)n1.
What is the InChIKey of [1-(cyclopentylmethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]methanamine;hydrochloride?
The InChIKey is OYMHATUKECDTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2N3O.ClH/c18-14-5-6-16(19)13(7-14)11-23-17-8-15(9-20)21-22(17)10-12-3-1-2-4-12;/h5-8,12H,1-4,9-11,20H2;1H.
What are the key properties of [1-(cyclopentylmethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]methanamine;hydrochloride?
[1-(cyclopentylmethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]methanamine;hydrochloride has a molecular weight of 357.83 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopentylmethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 66664847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).