1-[1-(cyclopentylmethyl)-5-[(2-fluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine;2,2,2-trifluoroacetic acid

C20H25F4N3O3 — CID 66665335

IUPAC1-[1-(cyclopentylmethyl)-5-[(2-fluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine;2,2,2-trifluoroacetic acid
SMILESCNCc1cc(OCc2ccccc2F)n(CC2CCCC2)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H24FN3O.C2HF3O2/c1-20-11-16-10-18(22(21-16)12-14-6-2-3-7-14)23-13-15-8-4-5-9-17(15)19;3-2(4,5)1(6)7/h4-5,8-10,14,20H,2-3,6-7,11-13H2,1H3;(H,6,7)
InChIKeyXRXYPYTVEPGYCE-UHFFFAOYSA-N
MW431.43 g/mol
LogP4.14
Rot. Bonds7

About 1-[1-(cyclopentylmethyl)-5-[(2-fluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine;2,2,2-trifluoroacetic acid

1-[1-(cyclopentylmethyl)-5-[(2-fluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine;2,2,2-trifluoroacetic acid (PubChem CID 66665335) has the molecular formula C20H25F4N3O3 and a molecular weight of 431.43 g/mol. Its IUPAC name is 1-[1-(cyclopentylmethyl)-5-[(2-fluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-[1-(cyclopentylmethyl)-5-[(2-fluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine;2,2,2-trifluoroacetic acid
PubChem CID66665335
Molecular FormulaC20H25F4N3O3
Molecular Weight431.43 g/mol
Exact Mass431.18
IUPAC Name1-[1-(cyclopentylmethyl)-5-[(2-fluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine;2,2,2-trifluoroacetic acid
SMILESCNCc1cc(OCc2ccccc2F)n(CC2CCCC2)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H24FN3O.C2HF3O2/c1-20-11-16-10-18(22(21-16)12-14-6-2-3-7-14)23-13-15-8-4-5-9-17(15)19;3-2(4,5)1(6)7/h4-5,8-10,14,20H,2-3,6-7,11-13H2,1H3;(H,6,7)
InChIKeyXRXYPYTVEPGYCE-UHFFFAOYSA-N
XLogP4.14
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.43
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-{5-[(2,5-difluorobenzyl)oxy]-1-(3,3-dimethylbutyl)-1H-pyrazol-3-yl}-N-methylmethanamine
CID 56601150
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
US10183913, Example 147
CID 56600958
US10183913, Example 269
CID 56601153
US10183913, Example 315
CID 56601348
US10183913, Example 258
CID 56601749

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopentylmethyl)-5-[(2-fluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-[1-(cyclopentylmethyl)-5-[(2-fluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine;2,2,2-trifluoroacetic acid (CID 66665335) is 1-[1-(cyclopentylmethyl)-5-[(2-fluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-[1-(cyclopentylmethyl)-5-[(2-fluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-[1-(cyclopentylmethyl)-5-[(2-fluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine;2,2,2-trifluoroacetic acid is CNCc1cc(OCc2ccccc2F)n(CC2CCCC2)n1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-[1-(cyclopentylmethyl)-5-[(2-fluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine;2,2,2-trifluoroacetic acid?
The InChIKey is XRXYPYTVEPGYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O.C2HF3O2/c1-20-11-16-10-18(22(21-16)12-14-6-2-3-7-14)23-13-15-8-4-5-9-17(15)19;3-2(4,5)1(6)7/h4-5,8-10,14,20H,2-3,6-7,11-13H2,1H3;(H,6,7).
What are the key properties of 1-[1-(cyclopentylmethyl)-5-[(2-fluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine;2,2,2-trifluoroacetic acid?
1-[1-(cyclopentylmethyl)-5-[(2-fluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine;2,2,2-trifluoroacetic acid has a molecular weight of 431.43 g/mol, XLogP of 4.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopentylmethyl)-5-[(2-fluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 66665335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).