4-pyrazol-1-yl-1-[3-(tetrazol-1-yl)propanoyl]piperidine-4-carboxylic acid

C13H17N7O3 — CID 56887242

IUPAC4-pyrazol-1-yl-1-[3-(tetrazol-1-yl)propanoyl]piperidine-4-carboxylic acid
SMILESO=C(CCn1cnnn1)N1CCC(C(=O)O)(n2cccn2)CC1
InChIInChI=1S/C13H17N7O3/c21-11(2-7-19-10-14-16-17-19)18-8-3-13(4-9-18,12(22)23)20-6-1-5-15-20/h1,5-6,10H,2-4,7-9H2,(H,22,23)
InChIKeyUSVMXIJBUNZODB-UHFFFAOYSA-N
MW319.33 g/mol
LogP-0.64
Rot. Bonds5

About 4-pyrazol-1-yl-1-[3-(tetrazol-1-yl)propanoyl]piperidine-4-carboxylic acid

4-pyrazol-1-yl-1-[3-(tetrazol-1-yl)propanoyl]piperidine-4-carboxylic acid (PubChem CID 56887242) has the molecular formula C13H17N7O3 and a molecular weight of 319.33 g/mol. Its IUPAC name is 4-pyrazol-1-yl-1-[3-(tetrazol-1-yl)propanoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-pyrazol-1-yl-1-[3-(tetrazol-1-yl)propanoyl]piperidine-4-carboxylic acid
PubChem CID56887242
Molecular FormulaC13H17N7O3
Molecular Weight319.33 g/mol
Exact Mass319.14
IUPAC Name4-pyrazol-1-yl-1-[3-(tetrazol-1-yl)propanoyl]piperidine-4-carboxylic acid
SMILESO=C(CCn1cnnn1)N1CCC(C(=O)O)(n2cccn2)CC1
InChIInChI=1S/C13H17N7O3/c21-11(2-7-19-10-14-16-17-19)18-8-3-13(4-9-18,12(22)23)20-6-1-5-15-20/h1,5-6,10H,2-4,7-9H2,(H,22,23)
InChIKeyUSVMXIJBUNZODB-UHFFFAOYSA-N
XLogP-0.64
TPSA119.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-pyrazol-1-yl-1-[3-(tetrazol-1-yl)propanoyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-pyrazol-1-yl-1-[3-(tetrazol-1-yl)propanoyl]piperidine-4-carboxylic acid (CID 56887242) is 4-pyrazol-1-yl-1-[3-(tetrazol-1-yl)propanoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-pyrazol-1-yl-1-[3-(tetrazol-1-yl)propanoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-pyrazol-1-yl-1-[3-(tetrazol-1-yl)propanoyl]piperidine-4-carboxylic acid is O=C(CCn1cnnn1)N1CCC(C(=O)O)(n2cccn2)CC1.
What is the InChIKey of 4-pyrazol-1-yl-1-[3-(tetrazol-1-yl)propanoyl]piperidine-4-carboxylic acid?
The InChIKey is USVMXIJBUNZODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N7O3/c21-11(2-7-19-10-14-16-17-19)18-8-3-13(4-9-18,12(22)23)20-6-1-5-15-20/h1,5-6,10H,2-4,7-9H2,(H,22,23).
What are the key properties of 4-pyrazol-1-yl-1-[3-(tetrazol-1-yl)propanoyl]piperidine-4-carboxylic acid?
4-pyrazol-1-yl-1-[3-(tetrazol-1-yl)propanoyl]piperidine-4-carboxylic acid has a molecular weight of 319.33 g/mol, XLogP of -0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrazol-1-yl-1-[3-(tetrazol-1-yl)propanoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 56887242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).