3-(3,5-dimethylpyrazol-1-yl)-1-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]propan-1-one

C15H23N7O — CID 91920187

IUPAC3-(3,5-dimethylpyrazol-1-yl)-1-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]propan-1-one
SMILESCc1cc(C)n(CCC(=O)N2CCCC(c3nnnn3C)C2)n1
InChIInChI=1S/C15H23N7O/c1-11-9-12(2)22(17-11)8-6-14(23)21-7-4-5-13(10-21)15-16-18-19-20(15)3/h9,13H,4-8,10H2,1-3H3
InChIKeyHPWAZUKFYSBLJR-UHFFFAOYSA-N
MW317.40 g/mol
LogP0.82
Rot. Bonds4

About 3-(3,5-dimethylpyrazol-1-yl)-1-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]propan-1-one

3-(3,5-dimethylpyrazol-1-yl)-1-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]propan-1-one (PubChem CID 91920187) has the molecular formula C15H23N7O and a molecular weight of 317.40 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-1-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-1-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]propan-1-one
PubChem CID91920187
Molecular FormulaC15H23N7O
Molecular Weight317.40 g/mol
Exact Mass317.20
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-1-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]propan-1-one
SMILESCc1cc(C)n(CCC(=O)N2CCCC(c3nnnn3C)C2)n1
InChIInChI=1S/C15H23N7O/c1-11-9-12(2)22(17-11)8-6-14(23)21-7-4-5-13(10-21)15-16-18-19-20(15)3/h9,13H,4-8,10H2,1-3H3
InChIKeyHPWAZUKFYSBLJR-UHFFFAOYSA-N
XLogP0.82
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-(3,5-dimethylpyrazol-1-yl)-1-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]propan-1-one 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 3-(3,5-dimethylpyrazol-1-yl)-1-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-1-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]propan-1-one (CID 91920187) is 3-(3,5-dimethylpyrazol-1-yl)-1-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-1-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-1-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]propan-1-one is Cc1cc(C)n(CCC(=O)N2CCCC(c3nnnn3C)C2)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-1-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]propan-1-one?
The InChIKey is HPWAZUKFYSBLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N7O/c1-11-9-12(2)22(17-11)8-6-14(23)21-7-4-5-13(10-21)15-16-18-19-20(15)3/h9,13H,4-8,10H2,1-3H3.
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-1-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]propan-1-one?
3-(3,5-dimethylpyrazol-1-yl)-1-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]propan-1-one has a molecular weight of 317.40 g/mol, XLogP of 0.82, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-1-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 91920187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).