(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone

C13H22N4O2 — CID 62075409

IUPAC(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCC(C)c1[nH]nc(C(=O)N2CCCC(CO)C2)c1N
InChIInChI=1S/C13H22N4O2/c1-8(2)11-10(14)12(16-15-11)13(19)17-5-3-4-9(6-17)7-18/h8-9,18H,3-7,14H2,1-2H3,(H,15,16)
InChIKeySCDFOAVSCNCJLA-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.96
Rot. Bonds3

About (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone

(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 62075409) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID62075409
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCC(C)c1[nH]nc(C(=O)N2CCCC(CO)C2)c1N
InChIInChI=1S/C13H22N4O2/c1-8(2)11-10(14)12(16-15-11)13(19)17-5-3-4-9(6-17)7-18/h8-9,18H,3-7,14H2,1-2H3,(H,15,16)
InChIKeySCDFOAVSCNCJLA-UHFFFAOYSA-N
XLogP0.96
TPSA95.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone (CID 62075409) is (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone is CC(C)c1[nH]nc(C(=O)N2CCCC(CO)C2)c1N.
What is the InChIKey of (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is SCDFOAVSCNCJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-8(2)11-10(14)12(16-15-11)13(19)17-5-3-4-9(6-17)7-18/h8-9,18H,3-7,14H2,1-2H3,(H,15,16).
What are the key properties of (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 266.34 g/mol, XLogP of 0.96, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 62075409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).