N-(2,3-dihydro-1H-inden-2-yl)-2-(1-methylpiperidin-4-yl)pyrazol-3-amine;2,2,2-trifluoroacetic acid

C20H25F3N4O2 — CID 154891846

IUPACN-(2,3-dihydro-1H-inden-2-yl)-2-(1-methylpiperidin-4-yl)pyrazol-3-amine;2,2,2-trifluoroacetic acid
SMILESCN1CCC(n2nccc2NC2Cc3ccccc3C2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H24N4.C2HF3O2/c1-21-10-7-17(8-11-21)22-18(6-9-19-22)20-16-12-14-4-2-3-5-15(14)13-16;3-2(4,5)1(6)7/h2-6,9,16-17,20H,7-8,10-13H2,1H3;(H,6,7)
InChIKeyQZFKYQOXIUIJJH-UHFFFAOYSA-N
MW410.44 g/mol
LogP3.36
Rot. Bonds3

About N-(2,3-dihydro-1H-inden-2-yl)-2-(1-methylpiperidin-4-yl)pyrazol-3-amine;2,2,2-trifluoroacetic acid

N-(2,3-dihydro-1H-inden-2-yl)-2-(1-methylpiperidin-4-yl)pyrazol-3-amine;2,2,2-trifluoroacetic acid (PubChem CID 154891846) has the molecular formula C20H25F3N4O2 and a molecular weight of 410.44 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-2-(1-methylpiperidin-4-yl)pyrazol-3-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-yl)-2-(1-methylpiperidin-4-yl)pyrazol-3-amine;2,2,2-trifluoroacetic acid
PubChem CID154891846
Molecular FormulaC20H25F3N4O2
Molecular Weight410.44 g/mol
Exact Mass410.19
IUPAC NameN-(2,3-dihydro-1H-inden-2-yl)-2-(1-methylpiperidin-4-yl)pyrazol-3-amine;2,2,2-trifluoroacetic acid
SMILESCN1CCC(n2nccc2NC2Cc3ccccc3C2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H24N4.C2HF3O2/c1-21-10-7-17(8-11-21)22-18(6-9-19-22)20-16-12-14-4-2-3-5-15(14)13-16;3-2(4,5)1(6)7/h2-6,9,16-17,20H,7-8,10-13H2,1H3;(H,6,7)
InChIKeyQZFKYQOXIUIJJH-UHFFFAOYSA-N
XLogP3.36
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.44
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-2-(1-methylpiperidin-4-yl)pyrazol-3-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-2-(1-methylpiperidin-4-yl)pyrazol-3-amine;2,2,2-trifluoroacetic acid (CID 154891846) is N-(2,3-dihydro-1H-inden-2-yl)-2-(1-methylpiperidin-4-yl)pyrazol-3-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)-2-(1-methylpiperidin-4-yl)pyrazol-3-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-2-(1-methylpiperidin-4-yl)pyrazol-3-amine;2,2,2-trifluoroacetic acid is CN1CCC(n2nccc2NC2Cc3ccccc3C2)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-2-(1-methylpiperidin-4-yl)pyrazol-3-amine;2,2,2-trifluoroacetic acid?
The InChIKey is QZFKYQOXIUIJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4.C2HF3O2/c1-21-10-7-17(8-11-21)22-18(6-9-19-22)20-16-12-14-4-2-3-5-15(14)13-16;3-2(4,5)1(6)7/h2-6,9,16-17,20H,7-8,10-13H2,1H3;(H,6,7).
What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-2-(1-methylpiperidin-4-yl)pyrazol-3-amine;2,2,2-trifluoroacetic acid?
N-(2,3-dihydro-1H-inden-2-yl)-2-(1-methylpiperidin-4-yl)pyrazol-3-amine;2,2,2-trifluoroacetic acid has a molecular weight of 410.44 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-2-yl)-2-(1-methylpiperidin-4-yl)pyrazol-3-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154891846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).