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

C13H19N7O — CID 110196495

IUPAC(1,5-dimethylpyrazol-3-yl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCCC(c3nnnn3C)C2)nn1C
InChIInChI=1S/C13H19N7O/c1-9-7-11(15-18(9)2)13(21)20-6-4-5-10(8-20)12-14-16-17-19(12)3/h7,10H,4-6,8H2,1-3H3
InChIKeyQBSMBTDGPYZGSI-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.27
Rot. Bonds2

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

(1,5-dimethylpyrazol-3-yl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 110196495) has the molecular formula C13H19N7O and a molecular weight of 289.34 g/mol. Its IUPAC name is (1,5-dimethylpyrazol-3-yl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1,5-dimethylpyrazol-3-yl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone
PubChem CID110196495
Molecular FormulaC13H19N7O
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC Name(1,5-dimethylpyrazol-3-yl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCCC(c3nnnn3C)C2)nn1C
InChIInChI=1S/C13H19N7O/c1-9-7-11(15-18(9)2)13(21)20-6-4-5-10(8-20)12-14-16-17-19(12)3/h7,10H,4-6,8H2,1-3H3
InChIKeyQBSMBTDGPYZGSI-UHFFFAOYSA-N
XLogP0.27
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (1,5-dimethylpyrazol-3-yl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone 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 (1,5-dimethylpyrazol-3-yl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (1,5-dimethylpyrazol-3-yl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone (CID 110196495) is (1,5-dimethylpyrazol-3-yl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (1,5-dimethylpyrazol-3-yl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (1,5-dimethylpyrazol-3-yl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone is Cc1cc(C(=O)N2CCCC(c3nnnn3C)C2)nn1C.
What is the InChIKey of (1,5-dimethylpyrazol-3-yl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is QBSMBTDGPYZGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7O/c1-9-7-11(15-18(9)2)13(21)20-6-4-5-10(8-20)12-14-16-17-19(12)3/h7,10H,4-6,8H2,1-3H3.
What are the key properties of (1,5-dimethylpyrazol-3-yl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone?
(1,5-dimethylpyrazol-3-yl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 289.34 g/mol, XLogP of 0.27, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethylpyrazol-3-yl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 110196495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).