(5-amino-1-methylpyrazol-4-yl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone

C12H20N4O2 — CID 104599391

IUPAC(5-amino-1-methylpyrazol-4-yl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESCn1ncc(C(=O)N2CCCC(CCO)C2)c1N
InChIInChI=1S/C12H20N4O2/c1-15-11(13)10(7-14-15)12(18)16-5-2-3-9(8-16)4-6-17/h7,9,17H,2-6,8,13H2,1H3
InChIKeyOWASDISKXFDJHE-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.24
Rot. Bonds3

About (5-amino-1-methylpyrazol-4-yl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone

(5-amino-1-methylpyrazol-4-yl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone (PubChem CID 104599391) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is (5-amino-1-methylpyrazol-4-yl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-amino-1-methylpyrazol-4-yl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
PubChem CID104599391
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name(5-amino-1-methylpyrazol-4-yl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESCn1ncc(C(=O)N2CCCC(CCO)C2)c1N
InChIInChI=1S/C12H20N4O2/c1-15-11(13)10(7-14-15)12(18)16-5-2-3-9(8-16)4-6-17/h7,9,17H,2-6,8,13H2,1H3
InChIKeyOWASDISKXFDJHE-UHFFFAOYSA-N
XLogP0.24
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(2-aminoethyl)piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone
CID 63767651
(5-amino-1-methylpyrazol-4-yl)-(azocan-1-yl)methanone
CID 115330379
(2-amino-5-chloro-4-pyridinyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107228718
(5-amino-1-methylpyrazol-4-yl)-(4-propan-2-ylazepan-1-yl)methanone
CID 115330917
(2-amino-5-nitro-3-pyridinyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 104599392
[3-(2-hydroxyethyl)piperidin-1-yl]-pyrimidin-5-ylmethanone
CID 113434939
(5-amino-2-bromophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107209671
(2-amino-5-chlorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107209681
[3-(2-hydroxyethyl)piperidin-1-yl]-(2-hydroxy-5-methylphenyl)methanone
CID 62371639
(2,4-dimethylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62373006
[3-(2-hydroxyethyl)piperidin-1-yl]-(2-sulfanylphenyl)methanone
CID 107229128
1-(5-amino-1-methylpyrazol-4-yl)-2-cyclopentylethanone
CID 65360423

Frequently Asked Questions

What is the IUPAC name of (5-amino-1-methylpyrazol-4-yl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
The IUPAC name of (5-amino-1-methylpyrazol-4-yl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone (CID 104599391) is (5-amino-1-methylpyrazol-4-yl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-amino-1-methylpyrazol-4-yl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for (5-amino-1-methylpyrazol-4-yl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone is Cn1ncc(C(=O)N2CCCC(CCO)C2)c1N.
What is the InChIKey of (5-amino-1-methylpyrazol-4-yl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
The InChIKey is OWASDISKXFDJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-15-11(13)10(7-14-15)12(18)16-5-2-3-9(8-16)4-6-17/h7,9,17H,2-6,8,13H2,1H3.
What are the key properties of (5-amino-1-methylpyrazol-4-yl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
(5-amino-1-methylpyrazol-4-yl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone has a molecular weight of 252.32 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1-methylpyrazol-4-yl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 104599391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).