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

1-(1-benzyl-5-phenylmethoxypyrazol-3-yl)-N-methylmethanamine
CID 66665539
1-[1-(cyclopentylmethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine
CID 66665075
1-[1-(2-ethylbutyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine;hydrochloride
CID 66665001
1-[1-(3-methoxy-3-methylbutyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine
CID 66665056
N-methyl-1-[5-phenylmethoxy-1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazol-3-yl]methanamine
CID 87096231
1-[1-(1-cyclopentylethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine;hydrochloride
CID 66665468
1-[1-(1-cyclohexylethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine
CID 66665153
N-methyl-1-[1-[(2E,4Z)-2-methylhexa-2,4-dienyl]-5-phenylmethoxypyrazol-3-yl]methanamine
CID 130293873
1-[1-(cyclohexylmethyl)-5-[(3-methylphenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine
CID 56600351
1-[2-[5-[(2,5-difluorophenyl)methoxy]-3-(methylaminomethyl)pyrazol-1-yl]ethyl]cyclopentan-1-ol;hydrochloride
CID 66665590
1-[1-(cyclohexylmethyl)-5-[(2-fluoro-5-methylphenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine;hydrochloride
CID 66665525
1-[1-(cyclopentylmethyl)-5-[(2-fluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine;2,2,2-trifluoroacetic acid
CID 66665335

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).