(4-amino-1-ethyl-3-methylpyrazol-5-yl)-(3-methylpiperidin-1-yl)methanone

C13H22N4O — CID 66123272

IUPAC(4-amino-1-ethyl-3-methylpyrazol-5-yl)-(3-methylpiperidin-1-yl)methanone
SMILESCCn1nc(C)c(N)c1C(=O)N1CCCC(C)C1
InChIInChI=1S/C13H22N4O/c1-4-17-12(11(14)10(3)15-17)13(18)16-7-5-6-9(2)8-16/h9H,4-8,14H2,1-3H3
InChIKeyWGHGISZCZXVUFN-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.67
Rot. Bonds2

About (4-amino-1-ethyl-3-methylpyrazol-5-yl)-(3-methylpiperidin-1-yl)methanone

(4-amino-1-ethyl-3-methylpyrazol-5-yl)-(3-methylpiperidin-1-yl)methanone (PubChem CID 66123272) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is (4-amino-1-ethyl-3-methylpyrazol-5-yl)-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-1-ethyl-3-methylpyrazol-5-yl)-(3-methylpiperidin-1-yl)methanone
PubChem CID66123272
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name(4-amino-1-ethyl-3-methylpyrazol-5-yl)-(3-methylpiperidin-1-yl)methanone
SMILESCCn1nc(C)c(N)c1C(=O)N1CCCC(C)C1
InChIInChI=1S/C13H22N4O/c1-4-17-12(11(14)10(3)15-17)13(18)16-7-5-6-9(2)8-16/h9H,4-8,14H2,1-3H3
InChIKeyWGHGISZCZXVUFN-UHFFFAOYSA-N
XLogP1.67
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-amino-1-ethyl-3-methylpyrazol-5-yl)-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of (4-amino-1-ethyl-3-methylpyrazol-5-yl)-(3-methylpiperidin-1-yl)methanone (CID 66123272) is (4-amino-1-ethyl-3-methylpyrazol-5-yl)-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-amino-1-ethyl-3-methylpyrazol-5-yl)-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (4-amino-1-ethyl-3-methylpyrazol-5-yl)-(3-methylpiperidin-1-yl)methanone is CCn1nc(C)c(N)c1C(=O)N1CCCC(C)C1.
What is the InChIKey of (4-amino-1-ethyl-3-methylpyrazol-5-yl)-(3-methylpiperidin-1-yl)methanone?
The InChIKey is WGHGISZCZXVUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-17-12(11(14)10(3)15-17)13(18)16-7-5-6-9(2)8-16/h9H,4-8,14H2,1-3H3.
What are the key properties of (4-amino-1-ethyl-3-methylpyrazol-5-yl)-(3-methylpiperidin-1-yl)methanone?
(4-amino-1-ethyl-3-methylpyrazol-5-yl)-(3-methylpiperidin-1-yl)methanone has a molecular weight of 250.35 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-ethyl-3-methylpyrazol-5-yl)-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 66123272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).