1-[(1-propyltetrazol-5-yl)methyl]-4-(1H-pyrazol-5-yl)piperidine

C13H21N7 — CID 51104434

IUPAC1-[(1-propyltetrazol-5-yl)methyl]-4-(1H-pyrazol-5-yl)piperidine
SMILESCCCn1nnnc1CN1CCC(c2ccn[nH]2)CC1
InChIInChI=1S/C13H21N7/c1-2-7-20-13(16-17-18-20)10-19-8-4-11(5-9-19)12-3-6-14-15-12/h3,6,11H,2,4-5,7-10H2,1H3,(H,14,15)
InChIKeyMCGWXEBDRVRQJL-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.19
Rot. Bonds5

About 1-[(1-propyltetrazol-5-yl)methyl]-4-(1H-pyrazol-5-yl)piperidine

1-[(1-propyltetrazol-5-yl)methyl]-4-(1H-pyrazol-5-yl)piperidine (PubChem CID 51104434) has the molecular formula C13H21N7 and a molecular weight of 275.36 g/mol. Its IUPAC name is 1-[(1-propyltetrazol-5-yl)methyl]-4-(1H-pyrazol-5-yl)piperidine.

Molecular Properties

Compound Name1-[(1-propyltetrazol-5-yl)methyl]-4-(1H-pyrazol-5-yl)piperidine
PubChem CID51104434
Molecular FormulaC13H21N7
Molecular Weight275.36 g/mol
Exact Mass275.19
IUPAC Name1-[(1-propyltetrazol-5-yl)methyl]-4-(1H-pyrazol-5-yl)piperidine
SMILESCCCn1nnnc1CN1CCC(c2ccn[nH]2)CC1
InChIInChI=1S/C13H21N7/c1-2-7-20-13(16-17-18-20)10-19-8-4-11(5-9-19)12-3-6-14-15-12/h3,6,11H,2,4-5,7-10H2,1H3,(H,14,15)
InChIKeyMCGWXEBDRVRQJL-UHFFFAOYSA-N
XLogP1.19
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-propyltetrazol-5-yl)methyl]-4-(1H-pyrazol-5-yl)piperidine?
The IUPAC name of 1-[(1-propyltetrazol-5-yl)methyl]-4-(1H-pyrazol-5-yl)piperidine (CID 51104434) is 1-[(1-propyltetrazol-5-yl)methyl]-4-(1H-pyrazol-5-yl)piperidine.
What is the SMILES notation for 1-[(1-propyltetrazol-5-yl)methyl]-4-(1H-pyrazol-5-yl)piperidine?
The canonical SMILES for 1-[(1-propyltetrazol-5-yl)methyl]-4-(1H-pyrazol-5-yl)piperidine is CCCn1nnnc1CN1CCC(c2ccn[nH]2)CC1.
What is the InChIKey of 1-[(1-propyltetrazol-5-yl)methyl]-4-(1H-pyrazol-5-yl)piperidine?
The InChIKey is MCGWXEBDRVRQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N7/c1-2-7-20-13(16-17-18-20)10-19-8-4-11(5-9-19)12-3-6-14-15-12/h3,6,11H,2,4-5,7-10H2,1H3,(H,14,15).
What are the key properties of 1-[(1-propyltetrazol-5-yl)methyl]-4-(1H-pyrazol-5-yl)piperidine?
1-[(1-propyltetrazol-5-yl)methyl]-4-(1H-pyrazol-5-yl)piperidine has a molecular weight of 275.36 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-propyltetrazol-5-yl)methyl]-4-(1H-pyrazol-5-yl)piperidine is sourced from PubChem (CID 51104434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).