1-(1-tert-butylpiperidin-4-yl)-5-methoxypyrazol-4-amine

C13H24N4O — CID 90104387

IUPAC1-(1-tert-butylpiperidin-4-yl)-5-methoxypyrazol-4-amine
SMILESCOc1c(N)cnn1C1CCN(C(C)(C)C)CC1
InChIInChI=1S/C13H24N4O/c1-13(2,3)16-7-5-10(6-8-16)17-12(18-4)11(14)9-15-17/h9-10H,5-8,14H2,1-4H3
InChIKeyTVBVOHARNWVKNV-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.91
Rot. Bonds2

About 1-(1-tert-butylpiperidin-4-yl)-5-methoxypyrazol-4-amine

1-(1-tert-butylpiperidin-4-yl)-5-methoxypyrazol-4-amine (PubChem CID 90104387) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-(1-tert-butylpiperidin-4-yl)-5-methoxypyrazol-4-amine.

Molecular Properties

Compound Name1-(1-tert-butylpiperidin-4-yl)-5-methoxypyrazol-4-amine
PubChem CID90104387
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name1-(1-tert-butylpiperidin-4-yl)-5-methoxypyrazol-4-amine
SMILESCOc1c(N)cnn1C1CCN(C(C)(C)C)CC1
InChIInChI=1S/C13H24N4O/c1-13(2,3)16-7-5-10(6-8-16)17-12(18-4)11(14)9-15-17/h9-10H,5-8,14H2,1-4H3
InChIKeyTVBVOHARNWVKNV-UHFFFAOYSA-N
XLogP1.91
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butylpiperidin-4-yl)-5-methoxypyrazol-4-amine?
The IUPAC name of 1-(1-tert-butylpiperidin-4-yl)-5-methoxypyrazol-4-amine (CID 90104387) is 1-(1-tert-butylpiperidin-4-yl)-5-methoxypyrazol-4-amine.
What is the SMILES notation for 1-(1-tert-butylpiperidin-4-yl)-5-methoxypyrazol-4-amine?
The canonical SMILES for 1-(1-tert-butylpiperidin-4-yl)-5-methoxypyrazol-4-amine is COc1c(N)cnn1C1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-(1-tert-butylpiperidin-4-yl)-5-methoxypyrazol-4-amine?
The InChIKey is TVBVOHARNWVKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-13(2,3)16-7-5-10(6-8-16)17-12(18-4)11(14)9-15-17/h9-10H,5-8,14H2,1-4H3.
What are the key properties of 1-(1-tert-butylpiperidin-4-yl)-5-methoxypyrazol-4-amine?
1-(1-tert-butylpiperidin-4-yl)-5-methoxypyrazol-4-amine has a molecular weight of 252.36 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tert-butylpiperidin-4-yl)-5-methoxypyrazol-4-amine is sourced from PubChem (CID 90104387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).