(4-amino-1-ethylpyrazol-5-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone

C13H22N4O2 — CID 107390320

IUPAC(4-amino-1-ethylpyrazol-5-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
SMILESCCn1ncc(N)c1C(=O)N1CCCC(C)(OC)C1
InChIInChI=1S/C13H22N4O2/c1-4-17-11(10(14)8-15-17)12(18)16-7-5-6-13(2,9-16)19-3/h8H,4-7,9,14H2,1-3H3
InChIKeyMVQZIUAJFFVSGB-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.13
Rot. Bonds3

About (4-amino-1-ethylpyrazol-5-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone

(4-amino-1-ethylpyrazol-5-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone (PubChem CID 107390320) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is (4-amino-1-ethylpyrazol-5-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-1-ethylpyrazol-5-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
PubChem CID107390320
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name(4-amino-1-ethylpyrazol-5-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
SMILESCCn1ncc(N)c1C(=O)N1CCCC(C)(OC)C1
InChIInChI=1S/C13H22N4O2/c1-4-17-11(10(14)8-15-17)12(18)16-7-5-6-13(2,9-16)19-3/h8H,4-7,9,14H2,1-3H3
InChIKeyMVQZIUAJFFVSGB-UHFFFAOYSA-N
XLogP1.13
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-amino-1-ethylpyrazol-5-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone?
The IUPAC name of (4-amino-1-ethylpyrazol-5-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone (CID 107390320) is (4-amino-1-ethylpyrazol-5-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-amino-1-ethylpyrazol-5-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (4-amino-1-ethylpyrazol-5-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone is CCn1ncc(N)c1C(=O)N1CCCC(C)(OC)C1.
What is the InChIKey of (4-amino-1-ethylpyrazol-5-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone?
The InChIKey is MVQZIUAJFFVSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-4-17-11(10(14)8-15-17)12(18)16-7-5-6-13(2,9-16)19-3/h8H,4-7,9,14H2,1-3H3.
What are the key properties of (4-amino-1-ethylpyrazol-5-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone?
(4-amino-1-ethylpyrazol-5-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone has a molecular weight of 266.34 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-ethylpyrazol-5-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 107390320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).