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

C10H16N4O2 — CID 43159604

IUPAC(3-amino-5-methyl-1H-pyrazol-4-yl)-(4-hydroxypiperidin-1-yl)methanone
SMILESCc1[nH]nc(N)c1C(=O)N1CCC(O)CC1
InChIInChI=1S/C10H16N4O2/c1-6-8(9(11)13-12-6)10(16)14-4-2-7(15)3-5-14/h7,15H,2-5H2,1H3,(H3,11,12,13)
InChIKeyYKGUXGGAOYJSAD-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.10
Rot. Bonds1

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

(3-amino-5-methyl-1H-pyrazol-4-yl)-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 43159604) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is (3-amino-5-methyl-1H-pyrazol-4-yl)-(4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-5-methyl-1H-pyrazol-4-yl)-(4-hydroxypiperidin-1-yl)methanone
PubChem CID43159604
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name(3-amino-5-methyl-1H-pyrazol-4-yl)-(4-hydroxypiperidin-1-yl)methanone
SMILESCc1[nH]nc(N)c1C(=O)N1CCC(O)CC1
InChIInChI=1S/C10H16N4O2/c1-6-8(9(11)13-12-6)10(16)14-4-2-7(15)3-5-14/h7,15H,2-5H2,1H3,(H3,11,12,13)
InChIKeyYKGUXGGAOYJSAD-UHFFFAOYSA-N
XLogP-0.10
TPSA95.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
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)-(4-hydroxypiperidin-1-yl)methanone?
The IUPAC name of (3-amino-5-methyl-1H-pyrazol-4-yl)-(4-hydroxypiperidin-1-yl)methanone (CID 43159604) is (3-amino-5-methyl-1H-pyrazol-4-yl)-(4-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for (3-amino-5-methyl-1H-pyrazol-4-yl)-(4-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for (3-amino-5-methyl-1H-pyrazol-4-yl)-(4-hydroxypiperidin-1-yl)methanone is Cc1[nH]nc(N)c1C(=O)N1CCC(O)CC1.
What is the InChIKey of (3-amino-5-methyl-1H-pyrazol-4-yl)-(4-hydroxypiperidin-1-yl)methanone?
The InChIKey is YKGUXGGAOYJSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-6-8(9(11)13-12-6)10(16)14-4-2-7(15)3-5-14/h7,15H,2-5H2,1H3,(H3,11,12,13).
What are the key properties of (3-amino-5-methyl-1H-pyrazol-4-yl)-(4-hydroxypiperidin-1-yl)methanone?
(3-amino-5-methyl-1H-pyrazol-4-yl)-(4-hydroxypiperidin-1-yl)methanone has a molecular weight of 224.26 g/mol, XLogP of -0.10, 1 rotatable bonds, 3 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)-(4-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 43159604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).