(2-ethylpyrazol-3-yl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone

C12H17N7O — CID 110196470

IUPAC(2-ethylpyrazol-3-yl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
SMILESCCn1nccc1C(=O)N1CCCC(c2nn[nH]n2)C1
InChIInChI=1S/C12H17N7O/c1-2-19-10(5-6-13-19)12(20)18-7-3-4-9(8-18)11-14-16-17-15-11/h5-6,9H,2-4,7-8H2,1H3,(H,14,15,16,17)
InChIKeyMLEALBAQKLMYPD-UHFFFAOYSA-N
MW275.32 g/mol
LogP0.44
Rot. Bonds3

About (2-ethylpyrazol-3-yl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone

(2-ethylpyrazol-3-yl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 110196470) has the molecular formula C12H17N7O and a molecular weight of 275.32 g/mol. Its IUPAC name is (2-ethylpyrazol-3-yl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethylpyrazol-3-yl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
PubChem CID110196470
Molecular FormulaC12H17N7O
Molecular Weight275.32 g/mol
Exact Mass275.15
IUPAC Name(2-ethylpyrazol-3-yl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
SMILESCCn1nccc1C(=O)N1CCCC(c2nn[nH]n2)C1
InChIInChI=1S/C12H17N7O/c1-2-19-10(5-6-13-19)12(20)18-7-3-4-9(8-18)11-14-16-17-15-11/h5-6,9H,2-4,7-8H2,1H3,(H,14,15,16,17)
InChIKeyMLEALBAQKLMYPD-UHFFFAOYSA-N
XLogP0.44
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrazol-3-yl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (2-ethylpyrazol-3-yl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone (CID 110196470) is (2-ethylpyrazol-3-yl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-ethylpyrazol-3-yl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2-ethylpyrazol-3-yl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone is CCn1nccc1C(=O)N1CCCC(c2nn[nH]n2)C1.
What is the InChIKey of (2-ethylpyrazol-3-yl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is MLEALBAQKLMYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N7O/c1-2-19-10(5-6-13-19)12(20)18-7-3-4-9(8-18)11-14-16-17-15-11/h5-6,9H,2-4,7-8H2,1H3,(H,14,15,16,17).
What are the key properties of (2-ethylpyrazol-3-yl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone?
(2-ethylpyrazol-3-yl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 275.32 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrazol-3-yl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 110196470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).