(4-amino-1-ethylpyrazol-5-yl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone

C13H22N4O2 — CID 106835123

IUPAC(4-amino-1-ethylpyrazol-5-yl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
SMILESCCn1ncc(N)c1C(=O)N1CCC(C(C)O)CC1
InChIInChI=1S/C13H22N4O2/c1-3-17-12(11(14)8-15-17)13(19)16-6-4-10(5-7-16)9(2)18/h8-10,18H,3-7,14H2,1-2H3
InChIKeyBTAUSAYMDGFUNC-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.72
Rot. Bonds3

About (4-amino-1-ethylpyrazol-5-yl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone

(4-amino-1-ethylpyrazol-5-yl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone (PubChem CID 106835123) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is (4-amino-1-ethylpyrazol-5-yl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-amino-1-ethylpyrazol-5-yl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
PubChem CID106835123
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name(4-amino-1-ethylpyrazol-5-yl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
SMILESCCn1ncc(N)c1C(=O)N1CCC(C(C)O)CC1
InChIInChI=1S/C13H22N4O2/c1-3-17-12(11(14)8-15-17)13(19)16-6-4-10(5-7-16)9(2)18/h8-10,18H,3-7,14H2,1-2H3
InChIKeyBTAUSAYMDGFUNC-UHFFFAOYSA-N
XLogP0.72
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-amino-1-ethylpyrazol-5-yl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone?
The IUPAC name of (4-amino-1-ethylpyrazol-5-yl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone (CID 106835123) is (4-amino-1-ethylpyrazol-5-yl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-amino-1-ethylpyrazol-5-yl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-amino-1-ethylpyrazol-5-yl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone is CCn1ncc(N)c1C(=O)N1CCC(C(C)O)CC1.
What is the InChIKey of (4-amino-1-ethylpyrazol-5-yl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone?
The InChIKey is BTAUSAYMDGFUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-3-17-12(11(14)8-15-17)13(19)16-6-4-10(5-7-16)9(2)18/h8-10,18H,3-7,14H2,1-2H3.
What are the key properties of (4-amino-1-ethylpyrazol-5-yl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone?
(4-amino-1-ethylpyrazol-5-yl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone has a molecular weight of 266.34 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-ethylpyrazol-5-yl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 106835123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).