N-(1-piperidin-4-ylpyrazol-4-yl)-1-benzothiophene-5-carboxamide

C17H18N4OS — CID 166211763

IUPACN-(1-piperidin-4-ylpyrazol-4-yl)-1-benzothiophene-5-carboxamide
SMILESO=C(Nc1cnn(C2CCNCC2)c1)c1ccc2sccc2c1
InChIInChI=1S/C17H18N4OS/c22-17(13-1-2-16-12(9-13)5-8-23-16)20-14-10-19-21(11-14)15-3-6-18-7-4-15/h1-2,5,8-11,15,18H,3-4,6-7H2,(H,20,22)
InChIKeyNGFNOXSISZZULD-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.27
Rot. Bonds3

About N-(1-piperidin-4-ylpyrazol-4-yl)-1-benzothiophene-5-carboxamide

N-(1-piperidin-4-ylpyrazol-4-yl)-1-benzothiophene-5-carboxamide (PubChem CID 166211763) has the molecular formula C17H18N4OS and a molecular weight of 326.42 g/mol. Its IUPAC name is N-(1-piperidin-4-ylpyrazol-4-yl)-1-benzothiophene-5-carboxamide.

Molecular Properties

Compound NameN-(1-piperidin-4-ylpyrazol-4-yl)-1-benzothiophene-5-carboxamide
PubChem CID166211763
Molecular FormulaC17H18N4OS
Molecular Weight326.42 g/mol
Exact Mass326.12
IUPAC NameN-(1-piperidin-4-ylpyrazol-4-yl)-1-benzothiophene-5-carboxamide
SMILESO=C(Nc1cnn(C2CCNCC2)c1)c1ccc2sccc2c1
InChIInChI=1S/C17H18N4OS/c22-17(13-1-2-16-12(9-13)5-8-23-16)20-14-10-19-21(11-14)15-3-6-18-7-4-15/h1-2,5,8-11,15,18H,3-4,6-7H2,(H,20,22)
InChIKeyNGFNOXSISZZULD-UHFFFAOYSA-N
XLogP3.27
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-piperidin-4-ylpyrazol-4-yl)but-2-ynamide
CID 107990454
3-bromo-N-(1-piperidin-4-ylpyrazol-4-yl)pyridine-2-carboxamide
CID 107520067
N-(1-piperidin-4-ylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
CID 166243214
2-methyl-1-oxo-N-(1-piperidin-4-ylpyrazol-4-yl)isoquinoline-3-carboxamide
CID 166298550
2-(1-methylpyrazol-4-yl)-2-oxo-N-(1-piperidin-4-ylpyrazol-4-yl)acetamide
CID 166211770
5-tert-butyl-2-(2-fluorophenyl)-N-(1-piperidin-4-ylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 151577657
N-[1-(oxan-4-yl)pyrazol-4-yl]thiophene-3-carboxamide
CID 71810228
N-[1-(oxan-4-yl)pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide
CID 71810180
4-bromo-N-[1-(oxan-4-yl)pyrazol-4-yl]benzamide
CID 90597657
1-cyclopropyl-N-(1-piperidin-4-ylpyrazol-4-yl)methanesulfonamide
CID 64989081
N-[1-(oxan-4-yl)pyrazol-4-yl]thiophene-2-carboxamide
CID 71810204
6-[2-(1-benzothiophen-5-yl)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 91937301

Frequently Asked Questions

What is the IUPAC name of N-(1-piperidin-4-ylpyrazol-4-yl)-1-benzothiophene-5-carboxamide?
The IUPAC name of N-(1-piperidin-4-ylpyrazol-4-yl)-1-benzothiophene-5-carboxamide (CID 166211763) is N-(1-piperidin-4-ylpyrazol-4-yl)-1-benzothiophene-5-carboxamide.
What is the SMILES notation for N-(1-piperidin-4-ylpyrazol-4-yl)-1-benzothiophene-5-carboxamide?
The canonical SMILES for N-(1-piperidin-4-ylpyrazol-4-yl)-1-benzothiophene-5-carboxamide is O=C(Nc1cnn(C2CCNCC2)c1)c1ccc2sccc2c1.
What is the InChIKey of N-(1-piperidin-4-ylpyrazol-4-yl)-1-benzothiophene-5-carboxamide?
The InChIKey is NGFNOXSISZZULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c22-17(13-1-2-16-12(9-13)5-8-23-16)20-14-10-19-21(11-14)15-3-6-18-7-4-15/h1-2,5,8-11,15,18H,3-4,6-7H2,(H,20,22).
What are the key properties of N-(1-piperidin-4-ylpyrazol-4-yl)-1-benzothiophene-5-carboxamide?
N-(1-piperidin-4-ylpyrazol-4-yl)-1-benzothiophene-5-carboxamide has a molecular weight of 326.42 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-piperidin-4-ylpyrazol-4-yl)-1-benzothiophene-5-carboxamide is sourced from PubChem (CID 166211763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).