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

C14H24N4O3 — CID 82012290

IUPAC(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
SMILESCC(C)c1[nH]nc(C(=O)N2CCC(OCCO)CC2)c1N
InChIInChI=1S/C14H24N4O3/c1-9(2)12-11(15)13(17-16-12)14(20)18-5-3-10(4-6-18)21-8-7-19/h9-10,19H,3-8,15H2,1-2H3,(H,16,17)
InChIKeyJLXJZXDQSOTWPR-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.73
Rot. Bonds5

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

(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone (PubChem CID 82012290) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
PubChem CID82012290
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Name(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
SMILESCC(C)c1[nH]nc(C(=O)N2CCC(OCCO)CC2)c1N
InChIInChI=1S/C14H24N4O3/c1-9(2)12-11(15)13(17-16-12)14(20)18-5-3-10(4-6-18)21-8-7-19/h9-10,19H,3-8,15H2,1-2H3,(H,16,17)
InChIKeyJLXJZXDQSOTWPR-UHFFFAOYSA-N
XLogP0.73
TPSA104.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone?
The IUPAC name of (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone (CID 82012290) is (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone.
What is the SMILES notation for (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone?
The canonical SMILES for (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone is CC(C)c1[nH]nc(C(=O)N2CCC(OCCO)CC2)c1N.
What is the InChIKey of (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone?
The InChIKey is JLXJZXDQSOTWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-9(2)12-11(15)13(17-16-12)14(20)18-5-3-10(4-6-18)21-8-7-19/h9-10,19H,3-8,15H2,1-2H3,(H,16,17).
What are the key properties of (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone?
(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone has a molecular weight of 296.37 g/mol, XLogP of 0.73, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 82012290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).