1-(4-amino-1-ethyl-3-methylpyrazol-5-yl)-3,3-dimethylpiperidin-4-ol

C13H24N4O — CID 112747122

IUPAC1-(4-amino-1-ethyl-3-methylpyrazol-5-yl)-3,3-dimethylpiperidin-4-ol
SMILESCCn1nc(C)c(N)c1N1CCC(O)C(C)(C)C1
InChIInChI=1S/C13H24N4O/c1-5-17-12(11(14)9(2)15-17)16-7-6-10(18)13(3,4)8-16/h10,18H,5-8,14H2,1-4H3
InChIKeyXFHHIDZUHGOFNJ-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.39
Rot. Bonds2

About 1-(4-amino-1-ethyl-3-methylpyrazol-5-yl)-3,3-dimethylpiperidin-4-ol

1-(4-amino-1-ethyl-3-methylpyrazol-5-yl)-3,3-dimethylpiperidin-4-ol (PubChem CID 112747122) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-(4-amino-1-ethyl-3-methylpyrazol-5-yl)-3,3-dimethylpiperidin-4-ol.

Molecular Properties

Compound Name1-(4-amino-1-ethyl-3-methylpyrazol-5-yl)-3,3-dimethylpiperidin-4-ol
PubChem CID112747122
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name1-(4-amino-1-ethyl-3-methylpyrazol-5-yl)-3,3-dimethylpiperidin-4-ol
SMILESCCn1nc(C)c(N)c1N1CCC(O)C(C)(C)C1
InChIInChI=1S/C13H24N4O/c1-5-17-12(11(14)9(2)15-17)16-7-6-10(18)13(3,4)8-16/h10,18H,5-8,14H2,1-4H3
InChIKeyXFHHIDZUHGOFNJ-UHFFFAOYSA-N
XLogP1.39
TPSA67.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(4-amino-1-ethyl-3-methylpyrazol-5-yl)pyrrolidin-3-yl]ethanol
CID 112624222
1-ethyl-3-methyl-5-piperidin-1-ylpyrazol-4-amine
CID 66012579
1-(4-amino-1-ethyl-3-methylpyrazol-5-yl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317684
[1-(4-amino-1-ethyl-3-methylpyrazol-5-yl)piperidin-3-yl]methanol
CID 66012620
5-(2,2-dimethylpyrrolidin-1-yl)-1-ethyl-3-methylpyrazol-4-amine
CID 66011690
[1-(4-amino-3-methyl-1-propylpyrazol-5-yl)piperidin-4-yl]methanol
CID 66029931
5-(3-cyclopropylpyrazol-1-yl)-1-ethyl-3-methylpyrazol-4-amine
CID 66011902
1-(4-amino-1-ethyl-3-methylpyrazol-5-yl)-N-methylpyrrolidine-2-carboxamide
CID 66012640
3-methyl-5-(4-propan-2-ylazepan-1-yl)-1-propylpyrazol-4-amine
CID 66029993
5-(azetidin-1-yl)-3-methyl-1-propylpyrazol-4-amine
CID 130546598
3-methyl-1-propyl-5-(4-propylazepan-1-yl)pyrazol-4-amine
CID 66029991
3,3-dimethyl-1-(4-methylphenyl)piperidin-4-ol
CID 117024204

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-1-ethyl-3-methylpyrazol-5-yl)-3,3-dimethylpiperidin-4-ol?
The IUPAC name of 1-(4-amino-1-ethyl-3-methylpyrazol-5-yl)-3,3-dimethylpiperidin-4-ol (CID 112747122) is 1-(4-amino-1-ethyl-3-methylpyrazol-5-yl)-3,3-dimethylpiperidin-4-ol.
What is the SMILES notation for 1-(4-amino-1-ethyl-3-methylpyrazol-5-yl)-3,3-dimethylpiperidin-4-ol?
The canonical SMILES for 1-(4-amino-1-ethyl-3-methylpyrazol-5-yl)-3,3-dimethylpiperidin-4-ol is CCn1nc(C)c(N)c1N1CCC(O)C(C)(C)C1.
What is the InChIKey of 1-(4-amino-1-ethyl-3-methylpyrazol-5-yl)-3,3-dimethylpiperidin-4-ol?
The InChIKey is XFHHIDZUHGOFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-5-17-12(11(14)9(2)15-17)16-7-6-10(18)13(3,4)8-16/h10,18H,5-8,14H2,1-4H3.
What are the key properties of 1-(4-amino-1-ethyl-3-methylpyrazol-5-yl)-3,3-dimethylpiperidin-4-ol?
1-(4-amino-1-ethyl-3-methylpyrazol-5-yl)-3,3-dimethylpiperidin-4-ol has a molecular weight of 252.36 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-1-ethyl-3-methylpyrazol-5-yl)-3,3-dimethylpiperidin-4-ol is sourced from PubChem (CID 112747122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).