5-[3-[(4-methoxyphenyl)methylamino]cyclopentyl]-N-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine

C23H25F3N4O — CID 10113509

IUPAC5-[3-[(4-methoxyphenyl)methylamino]cyclopentyl]-N-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine
SMILESCOc1ccc(CNC2CCC(c3cc(Nc4cccc(C(F)(F)F)c4)n[nH]3)C2)cc1
InChIInChI=1S/C23H25F3N4O/c1-31-20-9-5-15(6-10-20)14-27-18-8-7-16(11-18)21-13-22(30-29-21)28-19-4-2-3-17(12-19)23(24,25)26/h2-6,9-10,12-13,16,18,27H,7-8,11,14H2,1H3,(H2,28,29,30)
InChIKeyGADVLGAUAZBVBG-UHFFFAOYSA-N
MW430.47 g/mol
LogP5.61
Rot. Bonds7

About 5-[3-[(4-methoxyphenyl)methylamino]cyclopentyl]-N-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine

5-[3-[(4-methoxyphenyl)methylamino]cyclopentyl]-N-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine (PubChem CID 10113509) has the molecular formula C23H25F3N4O and a molecular weight of 430.47 g/mol. Its IUPAC name is 5-[3-[(4-methoxyphenyl)methylamino]cyclopentyl]-N-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[3-[(4-methoxyphenyl)methylamino]cyclopentyl]-N-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine
PubChem CID10113509
Molecular FormulaC23H25F3N4O
Molecular Weight430.47 g/mol
Exact Mass430.20
IUPAC Name5-[3-[(4-methoxyphenyl)methylamino]cyclopentyl]-N-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine
SMILESCOc1ccc(CNC2CCC(c3cc(Nc4cccc(C(F)(F)F)c4)n[nH]3)C2)cc1
InChIInChI=1S/C23H25F3N4O/c1-31-20-9-5-15(6-10-20)14-27-18-8-7-16(11-18)21-13-22(30-29-21)28-19-4-2-3-17(12-19)23(24,25)26/h2-6,9-10,12-13,16,18,27H,7-8,11,14H2,1H3,(H2,28,29,30)
InChIKeyGADVLGAUAZBVBG-UHFFFAOYSA-N
XLogP5.61
TPSA61.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.47
LogP ≤ 55.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[(4-methoxyphenyl)methylamino]cyclopentyl]-N-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[3-[(4-methoxyphenyl)methylamino]cyclopentyl]-N-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine (CID 10113509) is 5-[3-[(4-methoxyphenyl)methylamino]cyclopentyl]-N-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[3-[(4-methoxyphenyl)methylamino]cyclopentyl]-N-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[3-[(4-methoxyphenyl)methylamino]cyclopentyl]-N-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine is COc1ccc(CNC2CCC(c3cc(Nc4cccc(C(F)(F)F)c4)n[nH]3)C2)cc1.
What is the InChIKey of 5-[3-[(4-methoxyphenyl)methylamino]cyclopentyl]-N-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine?
The InChIKey is GADVLGAUAZBVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N4O/c1-31-20-9-5-15(6-10-20)14-27-18-8-7-16(11-18)21-13-22(30-29-21)28-19-4-2-3-17(12-19)23(24,25)26/h2-6,9-10,12-13,16,18,27H,7-8,11,14H2,1H3,(H2,28,29,30).
What are the key properties of 5-[3-[(4-methoxyphenyl)methylamino]cyclopentyl]-N-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine?
5-[3-[(4-methoxyphenyl)methylamino]cyclopentyl]-N-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine has a molecular weight of 430.47 g/mol, XLogP of 5.61, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(4-methoxyphenyl)methylamino]cyclopentyl]-N-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 10113509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).