1-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrazole-4-carboxamide

C17H22N4O — CID 9303499

IUPAC1-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrazole-4-carboxamide
SMILESCC1CCN(c2ccc(NC(=O)c3cnn(C)c3)cc2)CC1
InChIInChI=1S/C17H22N4O/c1-13-7-9-21(10-8-13)16-5-3-15(4-6-16)19-17(22)14-11-18-20(2)12-14/h3-6,11-13H,7-10H2,1-2H3,(H,19,22)
InChIKeyKKOBQISTBAKYFK-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.91
Rot. Bonds3

About 1-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrazole-4-carboxamide

1-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrazole-4-carboxamide (PubChem CID 9303499) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrazole-4-carboxamide
PubChem CID9303499
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name1-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrazole-4-carboxamide
SMILESCC1CCN(c2ccc(NC(=O)c3cnn(C)c3)cc2)CC1
InChIInChI=1S/C17H22N4O/c1-13-7-9-21(10-8-13)16-5-3-15(4-6-16)19-17(22)14-11-18-20(2)12-14/h3-6,11-13H,7-10H2,1-2H3,(H,19,22)
InChIKeyKKOBQISTBAKYFK-UHFFFAOYSA-N
XLogP2.91
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109250972
2-(cyclopentylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-5-carboxamide
CID 109249860
N-[4-(4-methylpiperidin-1-yl)phenyl]thiophene-3-carboxamide
CID 9303445
N-(4-methylphenyl)-N'-[4-(4-methylpiperidin-1-yl)phenyl]oxamide
CID 108986754
1-methyl-N-[4-(methylcarbamoylamino)phenyl]pyrazole-4-carboxamide
CID 47143175
N-[4-(4-methylpiperidin-1-yl)phenyl]-1,2-thiazole-5-carboxamide
CID 110692228
N-[4-(dimethylamino)phenyl]-1-methylpyrazole-4-carboxamide
CID 110695872
N-[4-(hydroxymethyl)phenyl]-1-methylpyrazole-4-carboxamide
CID 64794504
N-(4-chlorophenyl)-5-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109227284
N-[4-(4-methylpiperazin-1-yl)phenyl]-1-phenylpyrazole-4-carboxamide
CID 134029541
N-(4-bromophenyl)-5-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109227293
N-[4-(4-methylpiperidin-1-yl)phenyl]-6-(2-methylpropylamino)pyridine-3-carboxamide
CID 109151851

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrazole-4-carboxamide (CID 9303499) is 1-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrazole-4-carboxamide is CC1CCN(c2ccc(NC(=O)c3cnn(C)c3)cc2)CC1.
What is the InChIKey of 1-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrazole-4-carboxamide?
The InChIKey is KKOBQISTBAKYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-13-7-9-21(10-8-13)16-5-3-15(4-6-16)19-17(22)14-11-18-20(2)12-14/h3-6,11-13H,7-10H2,1-2H3,(H,19,22).
What are the key properties of 1-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrazole-4-carboxamide?
1-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrazole-4-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 9303499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).