(5-amino-1H-pyrazol-4-yl)-(4,4-dimethylpiperidin-1-yl)methanone

C11H18N4O — CID 62932404

IUPAC(5-amino-1H-pyrazol-4-yl)-(4,4-dimethylpiperidin-1-yl)methanone
SMILESCC1(C)CCN(C(=O)c2cn[nH]c2N)CC1
InChIInChI=1S/C11H18N4O/c1-11(2)3-5-15(6-4-11)10(16)8-7-13-14-9(8)12/h7H,3-6H2,1-2H3,(H3,12,13,14)
InChIKeyVMLKIDMNENVPPL-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.25
Rot. Bonds1

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

(5-amino-1H-pyrazol-4-yl)-(4,4-dimethylpiperidin-1-yl)methanone (PubChem CID 62932404) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is (5-amino-1H-pyrazol-4-yl)-(4,4-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-amino-1H-pyrazol-4-yl)-(4,4-dimethylpiperidin-1-yl)methanone
PubChem CID62932404
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name(5-amino-1H-pyrazol-4-yl)-(4,4-dimethylpiperidin-1-yl)methanone
SMILESCC1(C)CCN(C(=O)c2cn[nH]c2N)CC1
InChIInChI=1S/C11H18N4O/c1-11(2)3-5-15(6-4-11)10(16)8-7-13-14-9(8)12/h7H,3-6H2,1-2H3,(H3,12,13,14)
InChIKeyVMLKIDMNENVPPL-UHFFFAOYSA-N
XLogP1.25
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
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

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(5-amino-1H-pyrazol-4-yl)-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of (5-amino-1H-pyrazol-4-yl)-(4,4-dimethylpiperidin-1-yl)methanone?
The IUPAC name of (5-amino-1H-pyrazol-4-yl)-(4,4-dimethylpiperidin-1-yl)methanone (CID 62932404) is (5-amino-1H-pyrazol-4-yl)-(4,4-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-amino-1H-pyrazol-4-yl)-(4,4-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for (5-amino-1H-pyrazol-4-yl)-(4,4-dimethylpiperidin-1-yl)methanone is CC1(C)CCN(C(=O)c2cn[nH]c2N)CC1.
What is the InChIKey of (5-amino-1H-pyrazol-4-yl)-(4,4-dimethylpiperidin-1-yl)methanone?
The InChIKey is VMLKIDMNENVPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-11(2)3-5-15(6-4-11)10(16)8-7-13-14-9(8)12/h7H,3-6H2,1-2H3,(H3,12,13,14).
What are the key properties of (5-amino-1H-pyrazol-4-yl)-(4,4-dimethylpiperidin-1-yl)methanone?
(5-amino-1H-pyrazol-4-yl)-(4,4-dimethylpiperidin-1-yl)methanone has a molecular weight of 222.29 g/mol, XLogP of 1.25, 1 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)-(4,4-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 62932404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).