4-(4-methylpyrazol-1-yl)-1-(3-pyrrolidin-1-ylpyrazin-2-yl)piperidine-4-carboxylic acid

C18H24N6O2 — CID 70716617

IUPAC4-(4-methylpyrazol-1-yl)-1-(3-pyrrolidin-1-ylpyrazin-2-yl)piperidine-4-carboxylic acid
SMILESCc1cnn(C2(C(=O)O)CCN(c3nccnc3N3CCCC3)CC2)c1
InChIInChI=1S/C18H24N6O2/c1-14-12-21-24(13-14)18(17(25)26)4-10-23(11-5-18)16-15(19-6-7-20-16)22-8-2-3-9-22/h6-7,12-13H,2-5,8-11H2,1H3,(H,25,26)
InChIKeyDDQLCEKECKXZHK-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.66
Rot. Bonds4

About 4-(4-methylpyrazol-1-yl)-1-(3-pyrrolidin-1-ylpyrazin-2-yl)piperidine-4-carboxylic acid

4-(4-methylpyrazol-1-yl)-1-(3-pyrrolidin-1-ylpyrazin-2-yl)piperidine-4-carboxylic acid (PubChem CID 70716617) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 4-(4-methylpyrazol-1-yl)-1-(3-pyrrolidin-1-ylpyrazin-2-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(4-methylpyrazol-1-yl)-1-(3-pyrrolidin-1-ylpyrazin-2-yl)piperidine-4-carboxylic acid
PubChem CID70716617
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name4-(4-methylpyrazol-1-yl)-1-(3-pyrrolidin-1-ylpyrazin-2-yl)piperidine-4-carboxylic acid
SMILESCc1cnn(C2(C(=O)O)CCN(c3nccnc3N3CCCC3)CC2)c1
InChIInChI=1S/C18H24N6O2/c1-14-12-21-24(13-14)18(17(25)26)4-10-23(11-5-18)16-15(19-6-7-20-16)22-8-2-3-9-22/h6-7,12-13H,2-5,8-11H2,1H3,(H,25,26)
InChIKeyDDQLCEKECKXZHK-UHFFFAOYSA-N
XLogP1.66
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.66
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-pyrrolidin-1-ylpyrazin-2-yl)piperidine-4-carboxylic acid?
The IUPAC name of 4-(4-methylpyrazol-1-yl)-1-(3-pyrrolidin-1-ylpyrazin-2-yl)piperidine-4-carboxylic acid (CID 70716617) is 4-(4-methylpyrazol-1-yl)-1-(3-pyrrolidin-1-ylpyrazin-2-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-(4-methylpyrazol-1-yl)-1-(3-pyrrolidin-1-ylpyrazin-2-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-(4-methylpyrazol-1-yl)-1-(3-pyrrolidin-1-ylpyrazin-2-yl)piperidine-4-carboxylic acid is Cc1cnn(C2(C(=O)O)CCN(c3nccnc3N3CCCC3)CC2)c1.
What is the InChIKey of 4-(4-methylpyrazol-1-yl)-1-(3-pyrrolidin-1-ylpyrazin-2-yl)piperidine-4-carboxylic acid?
The InChIKey is DDQLCEKECKXZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-14-12-21-24(13-14)18(17(25)26)4-10-23(11-5-18)16-15(19-6-7-20-16)22-8-2-3-9-22/h6-7,12-13H,2-5,8-11H2,1H3,(H,25,26).
What are the key properties of 4-(4-methylpyrazol-1-yl)-1-(3-pyrrolidin-1-ylpyrazin-2-yl)piperidine-4-carboxylic acid?
4-(4-methylpyrazol-1-yl)-1-(3-pyrrolidin-1-ylpyrazin-2-yl)piperidine-4-carboxylic acid has a molecular weight of 356.43 g/mol, XLogP of 1.66, 4 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-pyrrolidin-1-ylpyrazin-2-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 70716617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).