5-pyridin-4-yl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-3-yl]thiophene-2-carboxamide

C23H20N4OS — CID 134816614

IUPAC5-pyridin-4-yl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-3-yl]thiophene-2-carboxamide
SMILESO=C(Nc1cc(-c2ccc3c(c2)CCCC3)[nH]n1)c1ccc(-c2ccncc2)s1
InChIInChI=1S/C23H20N4OS/c28-23(21-8-7-20(29-21)16-9-11-24-12-10-16)25-22-14-19(26-27-22)18-6-5-15-3-1-2-4-17(15)13-18/h5-14H,1-4H2,(H2,25,26,27,28)
InChIKeyLLCAILYTVBOIFX-UHFFFAOYSA-N
MW400.51 g/mol
LogP5.33
Rot. Bonds4

About 5-pyridin-4-yl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-3-yl]thiophene-2-carboxamide

5-pyridin-4-yl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-3-yl]thiophene-2-carboxamide (PubChem CID 134816614) has the molecular formula C23H20N4OS and a molecular weight of 400.51 g/mol. Its IUPAC name is 5-pyridin-4-yl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-pyridin-4-yl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-3-yl]thiophene-2-carboxamide
PubChem CID134816614
Molecular FormulaC23H20N4OS
Molecular Weight400.51 g/mol
Exact Mass400.14
IUPAC Name5-pyridin-4-yl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-3-yl]thiophene-2-carboxamide
SMILESO=C(Nc1cc(-c2ccc3c(c2)CCCC3)[nH]n1)c1ccc(-c2ccncc2)s1
InChIInChI=1S/C23H20N4OS/c28-23(21-8-7-20(29-21)16-9-11-24-12-10-16)25-22-14-19(26-27-22)18-6-5-15-3-1-2-4-17(15)13-18/h5-14H,1-4H2,(H2,25,26,27,28)
InChIKeyLLCAILYTVBOIFX-UHFFFAOYSA-N
XLogP5.33
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.51
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-pyridin-4-yl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-3-yl]thiophene-2-carboxamide?
The IUPAC name of 5-pyridin-4-yl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-3-yl]thiophene-2-carboxamide (CID 134816614) is 5-pyridin-4-yl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-pyridin-4-yl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-3-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-pyridin-4-yl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-3-yl]thiophene-2-carboxamide is O=C(Nc1cc(-c2ccc3c(c2)CCCC3)[nH]n1)c1ccc(-c2ccncc2)s1.
What is the InChIKey of 5-pyridin-4-yl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-3-yl]thiophene-2-carboxamide?
The InChIKey is LLCAILYTVBOIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4OS/c28-23(21-8-7-20(29-21)16-9-11-24-12-10-16)25-22-14-19(26-27-22)18-6-5-15-3-1-2-4-17(15)13-18/h5-14H,1-4H2,(H2,25,26,27,28).
What are the key properties of 5-pyridin-4-yl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-3-yl]thiophene-2-carboxamide?
5-pyridin-4-yl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-3-yl]thiophene-2-carboxamide has a molecular weight of 400.51 g/mol, XLogP of 5.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-4-yl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 134816614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).