(5-amino-1H-pyrazol-4-yl)-(4-ethylpiperidin-1-yl)methanone

C11H18N4O — CID 61421520

IUPAC(5-amino-1H-pyrazol-4-yl)-(4-ethylpiperidin-1-yl)methanone
SMILESCCC1CCN(C(=O)c2cn[nH]c2N)CC1
InChIInChI=1S/C11H18N4O/c1-2-8-3-5-15(6-4-8)11(16)9-7-13-14-10(9)12/h7-8H,2-6H2,1H3,(H3,12,13,14)
InChIKeyXLLJXHJIFYGJAH-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.25
Rot. Bonds2

About (5-amino-1H-pyrazol-4-yl)-(4-ethylpiperidin-1-yl)methanone

(5-amino-1H-pyrazol-4-yl)-(4-ethylpiperidin-1-yl)methanone (PubChem CID 61421520) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is (5-amino-1H-pyrazol-4-yl)-(4-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-amino-1H-pyrazol-4-yl)-(4-ethylpiperidin-1-yl)methanone
PubChem CID61421520
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name(5-amino-1H-pyrazol-4-yl)-(4-ethylpiperidin-1-yl)methanone
SMILESCCC1CCN(C(=O)c2cn[nH]c2N)CC1
InChIInChI=1S/C11H18N4O/c1-2-8-3-5-15(6-4-8)11(16)9-7-13-14-10(9)12/h7-8H,2-6H2,1H3,(H3,12,13,14)
InChIKeyXLLJXHJIFYGJAH-UHFFFAOYSA-N
XLogP1.25
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5-amino-1H-pyrazol-4-yl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 62932404
(4-amino-1-methylpyrazol-5-yl)-(4-ethylpiperidin-1-yl)methanone
CID 65359976
(2-amino-5-bromo-3-pyridinyl)-(4-ethylpiperidin-1-yl)methanone
CID 62185337
(5-amino-1H-pyrazol-4-yl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 104959820
(5-amino-1H-pyrazol-4-yl)-(1,4-thiazepan-4-yl)methanone
CID 61423629
(5-amino-1H-pyrazol-4-yl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107405918
(5-amino-1H-pyrazol-4-yl)-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 107224095
(5-amino-1H-pyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 43159521
1-(5-amino-1H-pyrazole-4-carbonyl)-1,4-diazepan-5-one
CID 63003991
(5-amino-1H-pyrazol-4-yl)-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)methanone
CID 63155138
(2-amino-3-fluorophenyl)-(4-ethylpiperidin-1-yl)methanone
CID 62662648
5-amino-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-4-carboxamide
CID 63235520

Frequently Asked Questions

What is the IUPAC name of (5-amino-1H-pyrazol-4-yl)-(4-ethylpiperidin-1-yl)methanone?
The IUPAC name of (5-amino-1H-pyrazol-4-yl)-(4-ethylpiperidin-1-yl)methanone (CID 61421520) is (5-amino-1H-pyrazol-4-yl)-(4-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-amino-1H-pyrazol-4-yl)-(4-ethylpiperidin-1-yl)methanone?
The canonical SMILES for (5-amino-1H-pyrazol-4-yl)-(4-ethylpiperidin-1-yl)methanone is CCC1CCN(C(=O)c2cn[nH]c2N)CC1.
What is the InChIKey of (5-amino-1H-pyrazol-4-yl)-(4-ethylpiperidin-1-yl)methanone?
The InChIKey is XLLJXHJIFYGJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-2-8-3-5-15(6-4-8)11(16)9-7-13-14-10(9)12/h7-8H,2-6H2,1H3,(H3,12,13,14).
What are the key properties of (5-amino-1H-pyrazol-4-yl)-(4-ethylpiperidin-1-yl)methanone?
(5-amino-1H-pyrazol-4-yl)-(4-ethylpiperidin-1-yl)methanone has a molecular weight of 222.29 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1H-pyrazol-4-yl)-(4-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 61421520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).