N-(methoxymethyl)-1-(5-methyl-4-piperidin-1-ylpyrimidin-2-yl)pyrazole-4-carboxamide

C16H22N6O2 — CID 67390542

IUPACN-(methoxymethyl)-1-(5-methyl-4-piperidin-1-ylpyrimidin-2-yl)pyrazole-4-carboxamide
SMILESCOCNC(=O)c1cnn(-c2ncc(C)c(N3CCCCC3)n2)c1
InChIInChI=1S/C16H22N6O2/c1-12-8-17-16(20-14(12)21-6-4-3-5-7-21)22-10-13(9-19-22)15(23)18-11-24-2/h8-10H,3-7,11H2,1-2H3,(H,18,23)
InChIKeyWDBJGABBGQQQSP-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.29
Rot. Bonds5

About N-(methoxymethyl)-1-(5-methyl-4-piperidin-1-ylpyrimidin-2-yl)pyrazole-4-carboxamide

N-(methoxymethyl)-1-(5-methyl-4-piperidin-1-ylpyrimidin-2-yl)pyrazole-4-carboxamide (PubChem CID 67390542) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-(methoxymethyl)-1-(5-methyl-4-piperidin-1-ylpyrimidin-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(methoxymethyl)-1-(5-methyl-4-piperidin-1-ylpyrimidin-2-yl)pyrazole-4-carboxamide
PubChem CID67390542
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC NameN-(methoxymethyl)-1-(5-methyl-4-piperidin-1-ylpyrimidin-2-yl)pyrazole-4-carboxamide
SMILESCOCNC(=O)c1cnn(-c2ncc(C)c(N3CCCCC3)n2)c1
InChIInChI=1S/C16H22N6O2/c1-12-8-17-16(20-14(12)21-6-4-3-5-7-21)22-10-13(9-19-22)15(23)18-11-24-2/h8-10H,3-7,11H2,1-2H3,(H,18,23)
InChIKeyWDBJGABBGQQQSP-UHFFFAOYSA-N
XLogP1.29
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

{1-[4-amino-5-bromo-6-(ethylamino)pyrimidin-2-yl]-1H-pyrazole-4-yl}(morpholino)methanone
CID 77107697
US11344549, Example 11
CID 138495211
US11344549, Example 12
CID 138495212
US11344549, Example 14
CID 165112227
US11344549, Example 15
CID 165112228
US11344549, Example 182
CID 165112344
N-isopropyl-2-methoxy-N-[(1-methyl-1H-pyrazol-4-yl)methyl]pyrimidine-5-carboxamide
CID 56740914
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
1-({6-[(Diethylamino)methyl]pyrazolo[1,5-a]pyrimidin-3-yl}carbonyl)piperidine-4-carboxamide
CID 56745342
1-({6-[(Diethylamino)methyl]pyrazolo[1,5-a]pyrimidin-3-yl}carbonyl)piperidine-3-carboxamide
CID 56747991

Frequently Asked Questions

What is the IUPAC name of N-(methoxymethyl)-1-(5-methyl-4-piperidin-1-ylpyrimidin-2-yl)pyrazole-4-carboxamide?
The IUPAC name of N-(methoxymethyl)-1-(5-methyl-4-piperidin-1-ylpyrimidin-2-yl)pyrazole-4-carboxamide (CID 67390542) is N-(methoxymethyl)-1-(5-methyl-4-piperidin-1-ylpyrimidin-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(methoxymethyl)-1-(5-methyl-4-piperidin-1-ylpyrimidin-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for N-(methoxymethyl)-1-(5-methyl-4-piperidin-1-ylpyrimidin-2-yl)pyrazole-4-carboxamide is COCNC(=O)c1cnn(-c2ncc(C)c(N3CCCCC3)n2)c1.
What is the InChIKey of N-(methoxymethyl)-1-(5-methyl-4-piperidin-1-ylpyrimidin-2-yl)pyrazole-4-carboxamide?
The InChIKey is WDBJGABBGQQQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-12-8-17-16(20-14(12)21-6-4-3-5-7-21)22-10-13(9-19-22)15(23)18-11-24-2/h8-10H,3-7,11H2,1-2H3,(H,18,23).
What are the key properties of N-(methoxymethyl)-1-(5-methyl-4-piperidin-1-ylpyrimidin-2-yl)pyrazole-4-carboxamide?
N-(methoxymethyl)-1-(5-methyl-4-piperidin-1-ylpyrimidin-2-yl)pyrazole-4-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methoxymethyl)-1-(5-methyl-4-piperidin-1-ylpyrimidin-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 67390542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).