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

C14H19N7O3 — CID 56889451

IUPAC4-(4-methylpyrazol-1-yl)-1-[3-(tetrazol-1-yl)propanoyl]piperidine-4-carboxylic acid
SMILESCc1cnn(C2(C(=O)O)CCN(C(=O)CCn3cnnn3)CC2)c1
InChIInChI=1S/C14H19N7O3/c1-11-8-16-21(9-11)14(13(23)24)3-6-19(7-4-14)12(22)2-5-20-10-15-17-18-20/h8-10H,2-7H2,1H3,(H,23,24)
InChIKeyROZNPXIBOHGUFD-UHFFFAOYSA-N
MW333.35 g/mol
LogP-0.33
Rot. Bonds5

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

4-(4-methylpyrazol-1-yl)-1-[3-(tetrazol-1-yl)propanoyl]piperidine-4-carboxylic acid (PubChem CID 56889451) has the molecular formula C14H19N7O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is 4-(4-methylpyrazol-1-yl)-1-[3-(tetrazol-1-yl)propanoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(4-methylpyrazol-1-yl)-1-[3-(tetrazol-1-yl)propanoyl]piperidine-4-carboxylic acid
PubChem CID56889451
Molecular FormulaC14H19N7O3
Molecular Weight333.35 g/mol
Exact Mass333.15
IUPAC Name4-(4-methylpyrazol-1-yl)-1-[3-(tetrazol-1-yl)propanoyl]piperidine-4-carboxylic acid
SMILESCc1cnn(C2(C(=O)O)CCN(C(=O)CCn3cnnn3)CC2)c1
InChIInChI=1S/C14H19N7O3/c1-11-8-16-21(9-11)14(13(23)24)3-6-19(7-4-14)12(22)2-5-20-10-15-17-18-20/h8-10H,2-7H2,1H3,(H,23,24)
InChIKeyROZNPXIBOHGUFD-UHFFFAOYSA-N
XLogP-0.33
TPSA119.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpyrazol-1-yl)-1-[3-(tetrazol-1-yl)propanoyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-(4-methylpyrazol-1-yl)-1-[3-(tetrazol-1-yl)propanoyl]piperidine-4-carboxylic acid (CID 56889451) is 4-(4-methylpyrazol-1-yl)-1-[3-(tetrazol-1-yl)propanoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-(4-methylpyrazol-1-yl)-1-[3-(tetrazol-1-yl)propanoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-(4-methylpyrazol-1-yl)-1-[3-(tetrazol-1-yl)propanoyl]piperidine-4-carboxylic acid is Cc1cnn(C2(C(=O)O)CCN(C(=O)CCn3cnnn3)CC2)c1.
What is the InChIKey of 4-(4-methylpyrazol-1-yl)-1-[3-(tetrazol-1-yl)propanoyl]piperidine-4-carboxylic acid?
The InChIKey is ROZNPXIBOHGUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N7O3/c1-11-8-16-21(9-11)14(13(23)24)3-6-19(7-4-14)12(22)2-5-20-10-15-17-18-20/h8-10H,2-7H2,1H3,(H,23,24).
What are the key properties of 4-(4-methylpyrazol-1-yl)-1-[3-(tetrazol-1-yl)propanoyl]piperidine-4-carboxylic acid?
4-(4-methylpyrazol-1-yl)-1-[3-(tetrazol-1-yl)propanoyl]piperidine-4-carboxylic acid has a molecular weight of 333.35 g/mol, XLogP of -0.33, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpyrazol-1-yl)-1-[3-(tetrazol-1-yl)propanoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 56889451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).