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

C20H28FN3O — CID 66665530

IUPAC1-[1-(1-cyclohexylethyl)-5-[(2-fluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(OCc2ccccc2F)n(C(C)C2CCCCC2)n1
InChIInChI=1S/C20H28FN3O/c1-15(16-8-4-3-5-9-16)24-20(12-18(23-24)13-22-2)25-14-17-10-6-7-11-19(17)21/h6-7,10-12,15-16,22H,3-5,8-9,13-14H2,1-2H3
InChIKeyIMEQOYOQOIXODX-UHFFFAOYSA-N
MW345.46 g/mol
LogP4.46
Rot. Bonds7

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

1-[1-(1-cyclohexylethyl)-5-[(2-fluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine (PubChem CID 66665530) has the molecular formula C20H28FN3O and a molecular weight of 345.46 g/mol. Its IUPAC name is 1-[1-(1-cyclohexylethyl)-5-[(2-fluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(1-cyclohexylethyl)-5-[(2-fluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine
PubChem CID66665530
Molecular FormulaC20H28FN3O
Molecular Weight345.46 g/mol
Exact Mass345.22
IUPAC Name1-[1-(1-cyclohexylethyl)-5-[(2-fluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(OCc2ccccc2F)n(C(C)C2CCCCC2)n1
InChIInChI=1S/C20H28FN3O/c1-15(16-8-4-3-5-9-16)24-20(12-18(23-24)13-22-2)25-14-17-10-6-7-11-19(17)21/h6-7,10-12,15-16,22H,3-5,8-9,13-14H2,1-2H3
InChIKeyIMEQOYOQOIXODX-UHFFFAOYSA-N
XLogP4.46
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(1-cyclopentylethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine;hydrochloride
CID 66665468
1-[1-(cyclopentylmethyl)-5-[(2-fluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine;2,2,2-trifluoroacetic acid
CID 66665335
1-[1-(cyclohexylmethyl)-5-[(2-fluoro-5-methylphenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine;hydrochloride
CID 66665525
1-[1-(cyclopentylmethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine
CID 66665075
2-[[1-(cyclohexylmethyl)-3-(methylaminomethyl)pyrazol-5-yl]oxymethyl]-5-fluorobenzonitrile
CID 66665101
1-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]-N-methylmethanamine
CID 79776321
N-[1-(2-fluorophenyl)propan-2-yl]cycloheptanamine
CID 115592320
1-[6-[(2-fluorophenyl)methoxy]pyridazin-3-yl]-N-methylmethanamine
CID 63936765
cyclohexane;1-[1-(2-fluoroethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine;hydrochloride
CID 174683131
(1R)-1-cyclopentyl-N-[(2-fluorophenyl)methyl]ethanamine
CID 81394013
1-cyclohexyl-2-[(2-fluorophenyl)methoxy]ethanol
CID 104753717
N-[(1S)-1-cycloheptylethyl]-1-(2-fluorophenyl)propan-2-amine
CID 104979808

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-cyclohexylethyl)-5-[(2-fluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(1-cyclohexylethyl)-5-[(2-fluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine (CID 66665530) is 1-[1-(1-cyclohexylethyl)-5-[(2-fluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(1-cyclohexylethyl)-5-[(2-fluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(1-cyclohexylethyl)-5-[(2-fluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine is CNCc1cc(OCc2ccccc2F)n(C(C)C2CCCCC2)n1.
What is the InChIKey of 1-[1-(1-cyclohexylethyl)-5-[(2-fluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine?
The InChIKey is IMEQOYOQOIXODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN3O/c1-15(16-8-4-3-5-9-16)24-20(12-18(23-24)13-22-2)25-14-17-10-6-7-11-19(17)21/h6-7,10-12,15-16,22H,3-5,8-9,13-14H2,1-2H3.
What are the key properties of 1-[1-(1-cyclohexylethyl)-5-[(2-fluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine?
1-[1-(1-cyclohexylethyl)-5-[(2-fluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine has a molecular weight of 345.46 g/mol, XLogP of 4.46, 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-fluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 66665530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).