1-[1-(1-cyclohexyl-2-fluoroethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine

C20H28FN3O — CID 66665535

IUPAC1-[1-(1-cyclohexyl-2-fluoroethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(OCc2ccccc2)n(C(CF)C2CCCCC2)n1
InChIInChI=1S/C20H28FN3O/c1-22-14-18-12-20(25-15-16-8-4-2-5-9-16)24(23-18)19(13-21)17-10-6-3-7-11-17/h2,4-5,8-9,12,17,19,22H,3,6-7,10-11,13-15H2,1H3
InChIKeyDKTAXBXSANAKQY-UHFFFAOYSA-N
MW345.46 g/mol
LogP4.27
Rot. Bonds8

About 1-[1-(1-cyclohexyl-2-fluoroethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine

1-[1-(1-cyclohexyl-2-fluoroethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine (PubChem CID 66665535) has the molecular formula C20H28FN3O and a molecular weight of 345.46 g/mol. Its IUPAC name is 1-[1-(1-cyclohexyl-2-fluoroethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(1-cyclohexyl-2-fluoroethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine
PubChem CID66665535
Molecular FormulaC20H28FN3O
Molecular Weight345.46 g/mol
Exact Mass345.22
IUPAC Name1-[1-(1-cyclohexyl-2-fluoroethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(OCc2ccccc2)n(C(CF)C2CCCCC2)n1
InChIInChI=1S/C20H28FN3O/c1-22-14-18-12-20(25-15-16-8-4-2-5-9-16)24(23-18)19(13-21)17-10-6-3-7-11-17/h2,4-5,8-9,12,17,19,22H,3,6-7,10-11,13-15H2,1H3
InChIKeyDKTAXBXSANAKQY-UHFFFAOYSA-N
XLogP4.27
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Benzydamine
CID 12555
1-{5-[(2,5-difluorobenzyl)oxy]-1-(3,3-dimethylbutyl)-1H-pyrazol-3-yl}-N-methylmethanamine
CID 56601150
3-(1-benzyl-5-phenylpyrazol-3-yl)oxy-N,N-dimethylpropan-1-amine
CID 9905772
3-(1,5-diphenylpyrazol-3-yl)oxy-N,N-dimethylpropan-1-amine
CID 10314006
3-(Cyclohexylmethoxy)-1-(cyclohexylmethyl)indazole
CID 76321622
US11576897, Example 20
CID 56600157
US11576897, Example 30
CID 56600544
US10183913, Example 31
CID 56600545
US10183913, Example 33
CID 56600546
US11576897, Example 34
CID 56600547
US11576897, Example 37
CID 56600549
US10183913, Example 144
CID 56600955

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-cyclohexyl-2-fluoroethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(1-cyclohexyl-2-fluoroethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine (CID 66665535) is 1-[1-(1-cyclohexyl-2-fluoroethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(1-cyclohexyl-2-fluoroethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(1-cyclohexyl-2-fluoroethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine is CNCc1cc(OCc2ccccc2)n(C(CF)C2CCCCC2)n1.
What is the InChIKey of 1-[1-(1-cyclohexyl-2-fluoroethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine?
The InChIKey is DKTAXBXSANAKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN3O/c1-22-14-18-12-20(25-15-16-8-4-2-5-9-16)24(23-18)19(13-21)17-10-6-3-7-11-17/h2,4-5,8-9,12,17,19,22H,3,6-7,10-11,13-15H2,1H3.
What are the key properties of 1-[1-(1-cyclohexyl-2-fluoroethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine?
1-[1-(1-cyclohexyl-2-fluoroethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine has a molecular weight of 345.46 g/mol, XLogP of 4.27, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-cyclohexyl-2-fluoroethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 66665535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).