1-methyl-3-phenyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]pyrazole-5-carboxamide

C21H24N6O — CID 122318478

IUPAC1-methyl-3-phenyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]pyrazole-5-carboxamide
SMILESCn1nc(-c2ccccc2)cc1C(=O)NCc1nccc(N2CCCCC2)n1
InChIInChI=1S/C21H24N6O/c1-26-18(14-17(25-26)16-8-4-2-5-9-16)21(28)23-15-19-22-11-10-20(24-19)27-12-6-3-7-13-27/h2,4-5,8-11,14H,3,6-7,12-13,15H2,1H3,(H,23,28)
InChIKeyFAZDEHMXAVSCFF-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.80
Rot. Bonds5

About 1-methyl-3-phenyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]pyrazole-5-carboxamide

1-methyl-3-phenyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]pyrazole-5-carboxamide (PubChem CID 122318478) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-methyl-3-phenyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-3-phenyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]pyrazole-5-carboxamide
PubChem CID122318478
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name1-methyl-3-phenyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]pyrazole-5-carboxamide
SMILESCn1nc(-c2ccccc2)cc1C(=O)NCc1nccc(N2CCCCC2)n1
InChIInChI=1S/C21H24N6O/c1-26-18(14-17(25-26)16-8-4-2-5-9-16)21(28)23-15-19-22-11-10-20(24-19)27-12-6-3-7-13-27/h2,4-5,8-11,14H,3,6-7,12-13,15H2,1H3,(H,23,28)
InChIKeyFAZDEHMXAVSCFF-UHFFFAOYSA-N
XLogP2.80
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-phenyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-3-phenyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]pyrazole-5-carboxamide (CID 122318478) is 1-methyl-3-phenyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-3-phenyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-3-phenyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]pyrazole-5-carboxamide is Cn1nc(-c2ccccc2)cc1C(=O)NCc1nccc(N2CCCCC2)n1.
What is the InChIKey of 1-methyl-3-phenyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]pyrazole-5-carboxamide?
The InChIKey is FAZDEHMXAVSCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c1-26-18(14-17(25-26)16-8-4-2-5-9-16)21(28)23-15-19-22-11-10-20(24-19)27-12-6-3-7-13-27/h2,4-5,8-11,14H,3,6-7,12-13,15H2,1H3,(H,23,28).
What are the key properties of 1-methyl-3-phenyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]pyrazole-5-carboxamide?
1-methyl-3-phenyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]pyrazole-5-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-phenyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 122318478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).