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

C12H20N4O2 — CID 107394147

IUPAC(3-amino-5-methyl-1H-pyrazol-4-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
SMILESCOC1(C)CCCN(C(=O)c2c(N)n[nH]c2C)C1
InChIInChI=1S/C12H20N4O2/c1-8-9(10(13)15-14-8)11(17)16-6-4-5-12(2,7-16)18-3/h4-7H2,1-3H3,(H3,13,14,15)
InChIKeyHCSHIHWUMAIIPP-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.94
Rot. Bonds2

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

(3-amino-5-methyl-1H-pyrazol-4-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone (PubChem CID 107394147) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is (3-amino-5-methyl-1H-pyrazol-4-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-5-methyl-1H-pyrazol-4-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
PubChem CID107394147
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name(3-amino-5-methyl-1H-pyrazol-4-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
SMILESCOC1(C)CCCN(C(=O)c2c(N)n[nH]c2C)C1
InChIInChI=1S/C12H20N4O2/c1-8-9(10(13)15-14-8)11(17)16-6-4-5-12(2,7-16)18-3/h4-7H2,1-3H3,(H3,13,14,15)
InChIKeyHCSHIHWUMAIIPP-UHFFFAOYSA-N
XLogP0.94
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-amino-5-methyl-1H-pyrazol-4-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone?
The IUPAC name of (3-amino-5-methyl-1H-pyrazol-4-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone (CID 107394147) is (3-amino-5-methyl-1H-pyrazol-4-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-amino-5-methyl-1H-pyrazol-4-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (3-amino-5-methyl-1H-pyrazol-4-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone is COC1(C)CCCN(C(=O)c2c(N)n[nH]c2C)C1.
What is the InChIKey of (3-amino-5-methyl-1H-pyrazol-4-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone?
The InChIKey is HCSHIHWUMAIIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-8-9(10(13)15-14-8)11(17)16-6-4-5-12(2,7-16)18-3/h4-7H2,1-3H3,(H3,13,14,15).
What are the key properties of (3-amino-5-methyl-1H-pyrazol-4-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone?
(3-amino-5-methyl-1H-pyrazol-4-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone has a molecular weight of 252.32 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5-methyl-1H-pyrazol-4-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 107394147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).