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

C11H18N4O2 — CID 107394146

IUPAC(5-amino-1H-pyrazol-4-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
SMILESCOC1(C)CCCN(C(=O)c2cn[nH]c2N)C1
InChIInChI=1S/C11H18N4O2/c1-11(17-2)4-3-5-15(7-11)10(16)8-6-13-14-9(8)12/h6H,3-5,7H2,1-2H3,(H3,12,13,14)
InChIKeyCMXAVVUUXGHABT-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.63
Rot. Bonds2

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

(5-amino-1H-pyrazol-4-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone (PubChem CID 107394146) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is (5-amino-1H-pyrazol-4-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-amino-1H-pyrazol-4-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
PubChem CID107394146
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name(5-amino-1H-pyrazol-4-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
SMILESCOC1(C)CCCN(C(=O)c2cn[nH]c2N)C1
InChIInChI=1S/C11H18N4O2/c1-11(17-2)4-3-5-15(7-11)10(16)8-6-13-14-9(8)12/h6H,3-5,7H2,1-2H3,(H3,12,13,14)
InChIKeyCMXAVVUUXGHABT-UHFFFAOYSA-N
XLogP0.63
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5-amino-1H-pyrazol-4-yl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107405918
(5-amino-1H-pyrazol-4-yl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 62932404
(3-amino-5-methyl-1H-pyrazol-4-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107394147
(5-amino-1,3,4-thiadiazol-2-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107394925
(4-amino-1-ethylpyrazol-5-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107390320
(2-chloro-3-pyridinyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107392246
(2-hydroxy-3-methylphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107392968
(3-aminothiophen-2-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107390298
(3-methoxy-3-methylpiperidin-1-yl)-[5-(methylamino)pyrazin-2-yl]methanone
CID 107394944
(4-hydroxyphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107392960
(5-amino-1H-pyrazol-4-yl)-(1,4-thiazepan-4-yl)methanone
CID 61423629
(3-methoxy-3-methylpiperidin-1-yl)-(2-methyl-5-sulfanylphenyl)methanone
CID 107396054

Frequently Asked Questions

What is the IUPAC name of (5-amino-1H-pyrazol-4-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone?
The IUPAC name of (5-amino-1H-pyrazol-4-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone (CID 107394146) is (5-amino-1H-pyrazol-4-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-amino-1H-pyrazol-4-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (5-amino-1H-pyrazol-4-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone is COC1(C)CCCN(C(=O)c2cn[nH]c2N)C1.
What is the InChIKey of (5-amino-1H-pyrazol-4-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone?
The InChIKey is CMXAVVUUXGHABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-11(17-2)4-3-5-15(7-11)10(16)8-6-13-14-9(8)12/h6H,3-5,7H2,1-2H3,(H3,12,13,14).
What are the key properties of (5-amino-1H-pyrazol-4-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone?
(5-amino-1H-pyrazol-4-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone has a molecular weight of 238.29 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1H-pyrazol-4-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 107394146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).