4-(4-methylpyrazol-1-yl)-1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidine-4-carboxylic acid

C15H20N6O3 — CID 56882552

IUPAC4-(4-methylpyrazol-1-yl)-1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidine-4-carboxylic acid
SMILESCc1cnn(C2(C(=O)O)CCN(C(=O)CCn3cncn3)CC2)c1
InChIInChI=1S/C15H20N6O3/c1-12-8-17-21(9-12)15(14(23)24)3-6-19(7-4-15)13(22)2-5-20-11-16-10-18-20/h8-11H,2-7H2,1H3,(H,23,24)
InChIKeyJSBKDKMQHDXBQV-UHFFFAOYSA-N
MW332.36 g/mol
LogP0.28
Rot. Bonds5

About 4-(4-methylpyrazol-1-yl)-1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidine-4-carboxylic acid

4-(4-methylpyrazol-1-yl)-1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidine-4-carboxylic acid (PubChem CID 56882552) has the molecular formula C15H20N6O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is 4-(4-methylpyrazol-1-yl)-1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(4-methylpyrazol-1-yl)-1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidine-4-carboxylic acid
PubChem CID56882552
Molecular FormulaC15H20N6O3
Molecular Weight332.36 g/mol
Exact Mass332.16
IUPAC Name4-(4-methylpyrazol-1-yl)-1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidine-4-carboxylic acid
SMILESCc1cnn(C2(C(=O)O)CCN(C(=O)CCn3cncn3)CC2)c1
InChIInChI=1S/C15H20N6O3/c1-12-8-17-21(9-12)15(14(23)24)3-6-19(7-4-15)13(22)2-5-20-11-16-10-18-20/h8-11H,2-7H2,1H3,(H,23,24)
InChIKeyJSBKDKMQHDXBQV-UHFFFAOYSA-N
XLogP0.28
TPSA106.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpyrazol-1-yl)-1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-(4-methylpyrazol-1-yl)-1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidine-4-carboxylic acid (CID 56882552) is 4-(4-methylpyrazol-1-yl)-1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-(4-methylpyrazol-1-yl)-1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-(4-methylpyrazol-1-yl)-1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidine-4-carboxylic acid is Cc1cnn(C2(C(=O)O)CCN(C(=O)CCn3cncn3)CC2)c1.
What is the InChIKey of 4-(4-methylpyrazol-1-yl)-1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidine-4-carboxylic acid?
The InChIKey is JSBKDKMQHDXBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O3/c1-12-8-17-21(9-12)15(14(23)24)3-6-19(7-4-15)13(22)2-5-20-11-16-10-18-20/h8-11H,2-7H2,1H3,(H,23,24).
What are the key properties of 4-(4-methylpyrazol-1-yl)-1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidine-4-carboxylic acid?
4-(4-methylpyrazol-1-yl)-1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidine-4-carboxylic acid has a molecular weight of 332.36 g/mol, XLogP of 0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpyrazol-1-yl)-1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 56882552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).