1-(1-phenylmethoxypiperidin-4-yl)-3-propan-2-ylpyrazol-5-amine

C18H26N4O — CID 129033547

IUPAC1-(1-phenylmethoxypiperidin-4-yl)-3-propan-2-ylpyrazol-5-amine
SMILESCC(C)c1cc(N)n(C2CCN(OCc3ccccc3)CC2)n1
InChIInChI=1S/C18H26N4O/c1-14(2)17-12-18(19)22(20-17)16-8-10-21(11-9-16)23-13-15-6-4-3-5-7-15/h3-7,12,14,16H,8-11,13,19H2,1-2H3
InChIKeyFLWUVICLOFFCBF-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.36
Rot. Bonds5

About 1-(1-phenylmethoxypiperidin-4-yl)-3-propan-2-ylpyrazol-5-amine

1-(1-phenylmethoxypiperidin-4-yl)-3-propan-2-ylpyrazol-5-amine (PubChem CID 129033547) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-(1-phenylmethoxypiperidin-4-yl)-3-propan-2-ylpyrazol-5-amine.

Molecular Properties

Compound Name1-(1-phenylmethoxypiperidin-4-yl)-3-propan-2-ylpyrazol-5-amine
PubChem CID129033547
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name1-(1-phenylmethoxypiperidin-4-yl)-3-propan-2-ylpyrazol-5-amine
SMILESCC(C)c1cc(N)n(C2CCN(OCc3ccccc3)CC2)n1
InChIInChI=1S/C18H26N4O/c1-14(2)17-12-18(19)22(20-17)16-8-10-21(11-9-16)23-13-15-6-4-3-5-7-15/h3-7,12,14,16H,8-11,13,19H2,1-2H3
InChIKeyFLWUVICLOFFCBF-UHFFFAOYSA-N
XLogP3.36
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylmethoxypiperidin-4-yl)-3-propan-2-ylpyrazol-5-amine?
The IUPAC name of 1-(1-phenylmethoxypiperidin-4-yl)-3-propan-2-ylpyrazol-5-amine (CID 129033547) is 1-(1-phenylmethoxypiperidin-4-yl)-3-propan-2-ylpyrazol-5-amine.
What is the SMILES notation for 1-(1-phenylmethoxypiperidin-4-yl)-3-propan-2-ylpyrazol-5-amine?
The canonical SMILES for 1-(1-phenylmethoxypiperidin-4-yl)-3-propan-2-ylpyrazol-5-amine is CC(C)c1cc(N)n(C2CCN(OCc3ccccc3)CC2)n1.
What is the InChIKey of 1-(1-phenylmethoxypiperidin-4-yl)-3-propan-2-ylpyrazol-5-amine?
The InChIKey is FLWUVICLOFFCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-14(2)17-12-18(19)22(20-17)16-8-10-21(11-9-16)23-13-15-6-4-3-5-7-15/h3-7,12,14,16H,8-11,13,19H2,1-2H3.
What are the key properties of 1-(1-phenylmethoxypiperidin-4-yl)-3-propan-2-ylpyrazol-5-amine?
1-(1-phenylmethoxypiperidin-4-yl)-3-propan-2-ylpyrazol-5-amine has a molecular weight of 314.43 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylmethoxypiperidin-4-yl)-3-propan-2-ylpyrazol-5-amine is sourced from PubChem (CID 129033547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).