cyclohexane;1-[1-(2-fluoroethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine;hydrochloride

C20H31ClFN3O — CID 174683131

IUPACcyclohexane;1-[1-(2-fluoroethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine;hydrochloride
SMILESC1CCCCC1.CNCc1cc(OCc2ccccc2)n(CCF)n1.Cl
InChIInChI=1S/C14H18FN3O.C6H12.ClH/c1-16-10-13-9-14(18(17-13)8-7-15)19-11-12-5-3-2-4-6-12;1-2-4-6-5-3-1;/h2-6,9,16H,7-8,10-11H2,1H3;1-6H2;1H
InChIKeyWRARRIFZHMSFAZ-UHFFFAOYSA-N
MW383.94 g/mol
LogP4.91
Rot. Bonds7

About cyclohexane;1-[1-(2-fluoroethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine;hydrochloride

cyclohexane;1-[1-(2-fluoroethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine;hydrochloride (PubChem CID 174683131) has the molecular formula C20H31ClFN3O and a molecular weight of 383.94 g/mol. Its IUPAC name is cyclohexane;1-[1-(2-fluoroethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Namecyclohexane;1-[1-(2-fluoroethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine;hydrochloride
PubChem CID174683131
Molecular FormulaC20H31ClFN3O
Molecular Weight383.94 g/mol
Exact Mass383.21
IUPAC Namecyclohexane;1-[1-(2-fluoroethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine;hydrochloride
SMILESC1CCCCC1.CNCc1cc(OCc2ccccc2)n(CCF)n1.Cl
InChIInChI=1S/C14H18FN3O.C6H12.ClH/c1-16-10-13-9-14(18(17-13)8-7-15)19-11-12-5-3-2-4-6-12;1-2-4-6-5-3-1;/h2-6,9,16H,7-8,10-11H2,1H3;1-6H2;1H
InChIKeyWRARRIFZHMSFAZ-UHFFFAOYSA-N
XLogP4.91
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.94
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Benzydamine
CID 12555
Benzydamine Hydrochloride
CID 65464
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
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 cyclohexane;1-[1-(2-fluoroethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine;hydrochloride?
The IUPAC name of cyclohexane;1-[1-(2-fluoroethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine;hydrochloride (CID 174683131) is cyclohexane;1-[1-(2-fluoroethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine;hydrochloride.
What is the SMILES notation for cyclohexane;1-[1-(2-fluoroethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine;hydrochloride?
The canonical SMILES for cyclohexane;1-[1-(2-fluoroethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine;hydrochloride is C1CCCCC1.CNCc1cc(OCc2ccccc2)n(CCF)n1.Cl.
What is the InChIKey of cyclohexane;1-[1-(2-fluoroethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine;hydrochloride?
The InChIKey is WRARRIFZHMSFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O.C6H12.ClH/c1-16-10-13-9-14(18(17-13)8-7-15)19-11-12-5-3-2-4-6-12;1-2-4-6-5-3-1;/h2-6,9,16H,7-8,10-11H2,1H3;1-6H2;1H.
What are the key properties of cyclohexane;1-[1-(2-fluoroethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine;hydrochloride?
cyclohexane;1-[1-(2-fluoroethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine;hydrochloride has a molecular weight of 383.94 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;1-[1-(2-fluoroethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine;hydrochloride is sourced from PubChem (CID 174683131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).