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

C14H19N7O3 — CID 56903477

IUPAC4-pyrazol-1-yl-1-[4-(tetrazol-1-yl)butanoyl]piperidine-4-carboxylic acid
SMILESO=C(CCCn1cnnn1)N1CCC(C(=O)O)(n2cccn2)CC1
InChIInChI=1S/C14H19N7O3/c22-12(3-1-7-20-11-15-17-18-20)19-9-4-14(5-10-19,13(23)24)21-8-2-6-16-21/h2,6,8,11H,1,3-5,7,9-10H2,(H,23,24)
InChIKeyFREJLCUOVXHYDL-UHFFFAOYSA-N
MW333.35 g/mol
LogP-0.25
Rot. Bonds6

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

4-pyrazol-1-yl-1-[4-(tetrazol-1-yl)butanoyl]piperidine-4-carboxylic acid (PubChem CID 56903477) has the molecular formula C14H19N7O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is 4-pyrazol-1-yl-1-[4-(tetrazol-1-yl)butanoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-pyrazol-1-yl-1-[4-(tetrazol-1-yl)butanoyl]piperidine-4-carboxylic acid
PubChem CID56903477
Molecular FormulaC14H19N7O3
Molecular Weight333.35 g/mol
Exact Mass333.15
IUPAC Name4-pyrazol-1-yl-1-[4-(tetrazol-1-yl)butanoyl]piperidine-4-carboxylic acid
SMILESO=C(CCCn1cnnn1)N1CCC(C(=O)O)(n2cccn2)CC1
InChIInChI=1S/C14H19N7O3/c22-12(3-1-7-20-11-15-17-18-20)19-9-4-14(5-10-19,13(23)24)21-8-2-6-16-21/h2,6,8,11H,1,3-5,7,9-10H2,(H,23,24)
InChIKeyFREJLCUOVXHYDL-UHFFFAOYSA-N
XLogP-0.25
TPSA119.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 5-0.25
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-[4-(tetrazol-1-yl)butanoyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-pyrazol-1-yl-1-[4-(tetrazol-1-yl)butanoyl]piperidine-4-carboxylic acid (CID 56903477) is 4-pyrazol-1-yl-1-[4-(tetrazol-1-yl)butanoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-pyrazol-1-yl-1-[4-(tetrazol-1-yl)butanoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-pyrazol-1-yl-1-[4-(tetrazol-1-yl)butanoyl]piperidine-4-carboxylic acid is O=C(CCCn1cnnn1)N1CCC(C(=O)O)(n2cccn2)CC1.
What is the InChIKey of 4-pyrazol-1-yl-1-[4-(tetrazol-1-yl)butanoyl]piperidine-4-carboxylic acid?
The InChIKey is FREJLCUOVXHYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N7O3/c22-12(3-1-7-20-11-15-17-18-20)19-9-4-14(5-10-19,13(23)24)21-8-2-6-16-21/h2,6,8,11H,1,3-5,7,9-10H2,(H,23,24).
What are the key properties of 4-pyrazol-1-yl-1-[4-(tetrazol-1-yl)butanoyl]piperidine-4-carboxylic acid?
4-pyrazol-1-yl-1-[4-(tetrazol-1-yl)butanoyl]piperidine-4-carboxylic acid has a molecular weight of 333.35 g/mol, XLogP of -0.25, 6 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-[4-(tetrazol-1-yl)butanoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 56903477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).