5-(1-benzoylpyrrolidin-2-yl)-1H-pyrazole-4-carboxamide

C15H16N4O2 — CID 110272265

IUPAC5-(1-benzoylpyrrolidin-2-yl)-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1cn[nH]c1C1CCCN1C(=O)c1ccccc1
InChIInChI=1S/C15H16N4O2/c16-14(20)11-9-17-18-13(11)12-7-4-8-19(12)15(21)10-5-2-1-3-6-10/h1-3,5-6,9,12H,4,7-8H2,(H2,16,20)(H,17,18)
InChIKeyJRFFGIWMGBCEKV-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.49
Rot. Bonds3

About 5-(1-benzoylpyrrolidin-2-yl)-1H-pyrazole-4-carboxamide

5-(1-benzoylpyrrolidin-2-yl)-1H-pyrazole-4-carboxamide (PubChem CID 110272265) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 5-(1-benzoylpyrrolidin-2-yl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(1-benzoylpyrrolidin-2-yl)-1H-pyrazole-4-carboxamide
PubChem CID110272265
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name5-(1-benzoylpyrrolidin-2-yl)-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1cn[nH]c1C1CCCN1C(=O)c1ccccc1
InChIInChI=1S/C15H16N4O2/c16-14(20)11-9-17-18-13(11)12-7-4-8-19(12)15(21)10-5-2-1-3-6-10/h1-3,5-6,9,12H,4,7-8H2,(H2,16,20)(H,17,18)
InChIKeyJRFFGIWMGBCEKV-UHFFFAOYSA-N
XLogP1.49
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-benzoylpyrrolidin-2-yl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(1-benzoylpyrrolidin-2-yl)-1H-pyrazole-4-carboxamide (CID 110272265) is 5-(1-benzoylpyrrolidin-2-yl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(1-benzoylpyrrolidin-2-yl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(1-benzoylpyrrolidin-2-yl)-1H-pyrazole-4-carboxamide is NC(=O)c1cn[nH]c1C1CCCN1C(=O)c1ccccc1.
What is the InChIKey of 5-(1-benzoylpyrrolidin-2-yl)-1H-pyrazole-4-carboxamide?
The InChIKey is JRFFGIWMGBCEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c16-14(20)11-9-17-18-13(11)12-7-4-8-19(12)15(21)10-5-2-1-3-6-10/h1-3,5-6,9,12H,4,7-8H2,(H2,16,20)(H,17,18).
What are the key properties of 5-(1-benzoylpyrrolidin-2-yl)-1H-pyrazole-4-carboxamide?
5-(1-benzoylpyrrolidin-2-yl)-1H-pyrazole-4-carboxamide has a molecular weight of 284.32 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzoylpyrrolidin-2-yl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 110272265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).