1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-4-carboxamide

C21H21N5O2 — CID 24979694

IUPAC1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)CC1
InChIInChI=1S/C21H21N5O2/c22-20(27)15-8-11-25(12-9-15)21(28)18-14-26(17-6-2-1-3-7-17)24-19(18)16-5-4-10-23-13-16/h1-7,10,13-15H,8-9,11-12H2,(H2,22,27)
InChIKeyRIMUVNWUKWPQNJ-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.27
Rot. Bonds4

About 1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-4-carboxamide

1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-4-carboxamide (PubChem CID 24979694) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-4-carboxamide
PubChem CID24979694
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)CC1
InChIInChI=1S/C21H21N5O2/c22-20(27)15-8-11-25(12-9-15)21(28)18-14-26(17-6-2-1-3-7-17)24-19(18)16-5-4-10-23-13-16/h1-7,10,13-15H,8-9,11-12H2,(H2,22,27)
InChIKeyRIMUVNWUKWPQNJ-UHFFFAOYSA-N
XLogP2.27
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-4-carboxamide?
The IUPAC name of 1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-4-carboxamide (CID 24979694) is 1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)CC1.
What is the InChIKey of 1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-4-carboxamide?
The InChIKey is RIMUVNWUKWPQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c22-20(27)15-8-11-25(12-9-15)21(28)18-14-26(17-6-2-1-3-7-17)24-19(18)16-5-4-10-23-13-16/h1-7,10,13-15H,8-9,11-12H2,(H2,22,27).
What are the key properties of 1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-4-carboxamide?
1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-4-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 24979694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).