5-[1-(3-pyridin-2-ylpropanoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide

C17H21N5O2 — CID 71926924

IUPAC5-[1-(3-pyridin-2-ylpropanoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
SMILESNC(=O)c1cc(C2CCCN(C(=O)CCc3ccccn3)C2)[nH]n1
InChIInChI=1S/C17H21N5O2/c18-17(24)15-10-14(20-21-15)12-4-3-9-22(11-12)16(23)7-6-13-5-1-2-8-19-13/h1-2,5,8,10,12H,3-4,6-7,9,11H2,(H2,18,24)(H,20,21)
InChIKeySCCHSGKTAXQSEO-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.24
Rot. Bonds5

About 5-[1-(3-pyridin-2-ylpropanoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide

5-[1-(3-pyridin-2-ylpropanoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide (PubChem CID 71926924) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 5-[1-(3-pyridin-2-ylpropanoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[1-(3-pyridin-2-ylpropanoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
PubChem CID71926924
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name5-[1-(3-pyridin-2-ylpropanoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
SMILESNC(=O)c1cc(C2CCCN(C(=O)CCc3ccccn3)C2)[nH]n1
InChIInChI=1S/C17H21N5O2/c18-17(24)15-10-14(20-21-15)12-4-3-9-22(11-12)16(23)7-6-13-5-1-2-8-19-13/h1-2,5,8,10,12H,3-4,6-7,9,11H2,(H2,18,24)(H,20,21)
InChIKeySCCHSGKTAXQSEO-UHFFFAOYSA-N
XLogP1.24
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-pyridin-2-ylpropanoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[1-(3-pyridin-2-ylpropanoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide (CID 71926924) is 5-[1-(3-pyridin-2-ylpropanoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[1-(3-pyridin-2-ylpropanoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[1-(3-pyridin-2-ylpropanoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide is NC(=O)c1cc(C2CCCN(C(=O)CCc3ccccn3)C2)[nH]n1.
What is the InChIKey of 5-[1-(3-pyridin-2-ylpropanoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is SCCHSGKTAXQSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c18-17(24)15-10-14(20-21-15)12-4-3-9-22(11-12)16(23)7-6-13-5-1-2-8-19-13/h1-2,5,8,10,12H,3-4,6-7,9,11H2,(H2,18,24)(H,20,21).
What are the key properties of 5-[1-(3-pyridin-2-ylpropanoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide?
5-[1-(3-pyridin-2-ylpropanoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-pyridin-2-ylpropanoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 71926924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).