1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone

C15H22N6O — CID 56706203

IUPAC1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
SMILESCC(C)c1cc(C2CCN(C(=O)Cn3cncn3)CC2)[nH]n1
InChIInChI=1S/C15H22N6O/c1-11(2)13-7-14(19-18-13)12-3-5-20(6-4-12)15(22)8-21-10-16-9-17-21/h7,9-12H,3-6,8H2,1-2H3,(H,18,19)
InChIKeySOLBDWRXGNKENC-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.53
Rot. Bonds4

About 1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone

1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone (PubChem CID 56706203) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
PubChem CID56706203
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
SMILESCC(C)c1cc(C2CCN(C(=O)Cn3cncn3)CC2)[nH]n1
InChIInChI=1S/C15H22N6O/c1-11(2)13-7-14(19-18-13)12-3-5-20(6-4-12)15(22)8-21-10-16-9-17-21/h7,9-12H,3-6,8H2,1-2H3,(H,18,19)
InChIKeySOLBDWRXGNKENC-UHFFFAOYSA-N
XLogP1.53
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone?
The IUPAC name of 1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone (CID 56706203) is 1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone.
What is the SMILES notation for 1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone?
The canonical SMILES for 1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone is CC(C)c1cc(C2CCN(C(=O)Cn3cncn3)CC2)[nH]n1.
What is the InChIKey of 1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone?
The InChIKey is SOLBDWRXGNKENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O/c1-11(2)13-7-14(19-18-13)12-3-5-20(6-4-12)15(22)8-21-10-16-9-17-21/h7,9-12H,3-6,8H2,1-2H3,(H,18,19).
What are the key properties of 1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone?
1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone has a molecular weight of 302.38 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone is sourced from PubChem (CID 56706203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).