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

C14H21N7O — CID 56709827

IUPAC1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone
SMILESCC(C)c1cc(C2CCN(C(=O)Cn3cnnn3)CC2)[nH]n1
InChIInChI=1S/C14H21N7O/c1-10(2)12-7-13(17-16-12)11-3-5-20(6-4-11)14(22)8-21-9-15-18-19-21/h7,9-11H,3-6,8H2,1-2H3,(H,16,17)
InChIKeyXHOIJEIVGFLJIF-UHFFFAOYSA-N
MW303.37 g/mol
LogP0.93
Rot. Bonds4

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

1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone (PubChem CID 56709827) has the molecular formula C14H21N7O and a molecular weight of 303.37 g/mol. Its IUPAC name is 1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone
PubChem CID56709827
Molecular FormulaC14H21N7O
Molecular Weight303.37 g/mol
Exact Mass303.18
IUPAC Name1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone
SMILESCC(C)c1cc(C2CCN(C(=O)Cn3cnnn3)CC2)[nH]n1
InChIInChI=1S/C14H21N7O/c1-10(2)12-7-13(17-16-12)11-3-5-20(6-4-11)14(22)8-21-9-15-18-19-21/h7,9-11H,3-6,8H2,1-2H3,(H,16,17)
InChIKeyXHOIJEIVGFLJIF-UHFFFAOYSA-N
XLogP0.93
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-2-(tetrazol-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-(tetrazol-1-yl)ethanone?
The IUPAC name of 1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone (CID 56709827) is 1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone.
What is the SMILES notation for 1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone?
The canonical SMILES for 1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone is CC(C)c1cc(C2CCN(C(=O)Cn3cnnn3)CC2)[nH]n1.
What is the InChIKey of 1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone?
The InChIKey is XHOIJEIVGFLJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N7O/c1-10(2)12-7-13(17-16-12)11-3-5-20(6-4-11)14(22)8-21-9-15-18-19-21/h7,9-11H,3-6,8H2,1-2H3,(H,16,17).
What are the key properties of 1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone?
1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone has a molecular weight of 303.37 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 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-(tetrazol-1-yl)ethanone is sourced from PubChem (CID 56709827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).