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

C17H23N5O3 — CID 56898179

IUPAC4-(4-methylpyrazol-1-yl)-1-[3-(1-methylpyrazol-4-yl)propanoyl]piperidine-4-carboxylic acid
SMILESCc1cnn(C2(C(=O)O)CCN(C(=O)CCc3cnn(C)c3)CC2)c1
InChIInChI=1S/C17H23N5O3/c1-13-9-19-22(11-13)17(16(24)25)5-7-21(8-6-17)15(23)4-3-14-10-18-20(2)12-14/h9-12H,3-8H2,1-2H3,(H,24,25)
InChIKeyAZNCIBKYINOIAW-UHFFFAOYSA-N
MW345.40 g/mol
LogP0.96
Rot. Bonds5

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

4-(4-methylpyrazol-1-yl)-1-[3-(1-methylpyrazol-4-yl)propanoyl]piperidine-4-carboxylic acid (PubChem CID 56898179) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 4-(4-methylpyrazol-1-yl)-1-[3-(1-methylpyrazol-4-yl)propanoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(4-methylpyrazol-1-yl)-1-[3-(1-methylpyrazol-4-yl)propanoyl]piperidine-4-carboxylic acid
PubChem CID56898179
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name4-(4-methylpyrazol-1-yl)-1-[3-(1-methylpyrazol-4-yl)propanoyl]piperidine-4-carboxylic acid
SMILESCc1cnn(C2(C(=O)O)CCN(C(=O)CCc3cnn(C)c3)CC2)c1
InChIInChI=1S/C17H23N5O3/c1-13-9-19-22(11-13)17(16(24)25)5-7-21(8-6-17)15(23)4-3-14-10-18-20(2)12-14/h9-12H,3-8H2,1-2H3,(H,24,25)
InChIKeyAZNCIBKYINOIAW-UHFFFAOYSA-N
XLogP0.96
TPSA93.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpyrazol-1-yl)-1-[3-(1-methylpyrazol-4-yl)propanoyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-(4-methylpyrazol-1-yl)-1-[3-(1-methylpyrazol-4-yl)propanoyl]piperidine-4-carboxylic acid (CID 56898179) is 4-(4-methylpyrazol-1-yl)-1-[3-(1-methylpyrazol-4-yl)propanoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-(4-methylpyrazol-1-yl)-1-[3-(1-methylpyrazol-4-yl)propanoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-(4-methylpyrazol-1-yl)-1-[3-(1-methylpyrazol-4-yl)propanoyl]piperidine-4-carboxylic acid is Cc1cnn(C2(C(=O)O)CCN(C(=O)CCc3cnn(C)c3)CC2)c1.
What is the InChIKey of 4-(4-methylpyrazol-1-yl)-1-[3-(1-methylpyrazol-4-yl)propanoyl]piperidine-4-carboxylic acid?
The InChIKey is AZNCIBKYINOIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-13-9-19-22(11-13)17(16(24)25)5-7-21(8-6-17)15(23)4-3-14-10-18-20(2)12-14/h9-12H,3-8H2,1-2H3,(H,24,25).
What are the key properties of 4-(4-methylpyrazol-1-yl)-1-[3-(1-methylpyrazol-4-yl)propanoyl]piperidine-4-carboxylic acid?
4-(4-methylpyrazol-1-yl)-1-[3-(1-methylpyrazol-4-yl)propanoyl]piperidine-4-carboxylic acid has a molecular weight of 345.40 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpyrazol-1-yl)-1-[3-(1-methylpyrazol-4-yl)propanoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 56898179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).