1-(5-fluoro-2-piperazin-1-ylpyrimidin-4-yl)pyrazole-4-carboxamide

C12H14FN7O — CID 163796229

IUPAC1-(5-fluoro-2-piperazin-1-ylpyrimidin-4-yl)pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(-c2nc(N3CCNCC3)ncc2F)c1
InChIInChI=1S/C12H14FN7O/c13-9-6-16-12(19-3-1-15-2-4-19)18-11(9)20-7-8(5-17-20)10(14)21/h5-7,15H,1-4H2,(H2,14,21)
InChIKeyNAZYGRBZIBVIRT-UHFFFAOYSA-N
MW291.29 g/mol
LogP-0.69
Rot. Bonds3

About 1-(5-fluoro-2-piperazin-1-ylpyrimidin-4-yl)pyrazole-4-carboxamide

1-(5-fluoro-2-piperazin-1-ylpyrimidin-4-yl)pyrazole-4-carboxamide (PubChem CID 163796229) has the molecular formula C12H14FN7O and a molecular weight of 291.29 g/mol. Its IUPAC name is 1-(5-fluoro-2-piperazin-1-ylpyrimidin-4-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(5-fluoro-2-piperazin-1-ylpyrimidin-4-yl)pyrazole-4-carboxamide
PubChem CID163796229
Molecular FormulaC12H14FN7O
Molecular Weight291.29 g/mol
Exact Mass291.12
IUPAC Name1-(5-fluoro-2-piperazin-1-ylpyrimidin-4-yl)pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(-c2nc(N3CCNCC3)ncc2F)c1
InChIInChI=1S/C12H14FN7O/c13-9-6-16-12(19-3-1-15-2-4-19)18-11(9)20-7-8(5-17-20)10(14)21/h5-7,15H,1-4H2,(H2,14,21)
InChIKeyNAZYGRBZIBVIRT-UHFFFAOYSA-N
XLogP-0.69
TPSA101.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.29
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

US11344549, Example 18
CID 165112231
US11344549, Example 229
CID 138495218
US11344549, Example 238
CID 138495232
US11344549, Example 14
CID 165112227
US11344549, Example 16
CID 165112229
US11344549, Example 17
CID 165112230
US11344549, Example 22
CID 165112235
6-methyl-1-(pyrimidin-2-yl)-1H,4H,5H-pyrazolo(3,4-d)pyrimidin-4-one
CID 136004711
6-Methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 15042089
6-[(diethylamino)methyl]-N-piperidin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56702799
6-[(diethylamino)methyl]-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56718950
N-(1-Acetylpiperidin-3-YL)-6-[(diethylamino)methyl]pyrazolo[1,5-A]pyrimidine-3-carboxamide
CID 56721866

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-piperazin-1-ylpyrimidin-4-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-(5-fluoro-2-piperazin-1-ylpyrimidin-4-yl)pyrazole-4-carboxamide (CID 163796229) is 1-(5-fluoro-2-piperazin-1-ylpyrimidin-4-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(5-fluoro-2-piperazin-1-ylpyrimidin-4-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(5-fluoro-2-piperazin-1-ylpyrimidin-4-yl)pyrazole-4-carboxamide is NC(=O)c1cnn(-c2nc(N3CCNCC3)ncc2F)c1.
What is the InChIKey of 1-(5-fluoro-2-piperazin-1-ylpyrimidin-4-yl)pyrazole-4-carboxamide?
The InChIKey is NAZYGRBZIBVIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN7O/c13-9-6-16-12(19-3-1-15-2-4-19)18-11(9)20-7-8(5-17-20)10(14)21/h5-7,15H,1-4H2,(H2,14,21).
What are the key properties of 1-(5-fluoro-2-piperazin-1-ylpyrimidin-4-yl)pyrazole-4-carboxamide?
1-(5-fluoro-2-piperazin-1-ylpyrimidin-4-yl)pyrazole-4-carboxamide has a molecular weight of 291.29 g/mol, XLogP of -0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-piperazin-1-ylpyrimidin-4-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 163796229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).