N-(1,3-diphenylpyrazol-5-yl)thiophene-3-carboxamide

C20H15N3OS — CID 11371383

IUPACN-(1,3-diphenylpyrazol-5-yl)thiophene-3-carboxamide
SMILESO=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1ccsc1
InChIInChI=1S/C20H15N3OS/c24-20(16-11-12-25-14-16)21-19-13-18(15-7-3-1-4-8-15)22-23(19)17-9-5-2-6-10-17/h1-14H,(H,21,24)
InChIKeyDQKXGDKZDMLTJK-UHFFFAOYSA-N
MW345.43 g/mol
LogP4.85
Rot. Bonds4

About N-(1,3-diphenylpyrazol-5-yl)thiophene-3-carboxamide

N-(1,3-diphenylpyrazol-5-yl)thiophene-3-carboxamide (PubChem CID 11371383) has the molecular formula C20H15N3OS and a molecular weight of 345.43 g/mol. Its IUPAC name is N-(1,3-diphenylpyrazol-5-yl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-diphenylpyrazol-5-yl)thiophene-3-carboxamide
PubChem CID11371383
Molecular FormulaC20H15N3OS
Molecular Weight345.43 g/mol
Exact Mass345.09
IUPAC NameN-(1,3-diphenylpyrazol-5-yl)thiophene-3-carboxamide
SMILESO=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1ccsc1
InChIInChI=1S/C20H15N3OS/c24-20(16-11-12-25-14-16)21-19-13-18(15-7-3-1-4-8-15)22-23(19)17-9-5-2-6-10-17/h1-14H,(H,21,24)
InChIKeyDQKXGDKZDMLTJK-UHFFFAOYSA-N
XLogP4.85
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-diphenylpyrazol-5-yl)thiophene-3-carboxamide?
The IUPAC name of N-(1,3-diphenylpyrazol-5-yl)thiophene-3-carboxamide (CID 11371383) is N-(1,3-diphenylpyrazol-5-yl)thiophene-3-carboxamide.
What is the SMILES notation for N-(1,3-diphenylpyrazol-5-yl)thiophene-3-carboxamide?
The canonical SMILES for N-(1,3-diphenylpyrazol-5-yl)thiophene-3-carboxamide is O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1ccsc1.
What is the InChIKey of N-(1,3-diphenylpyrazol-5-yl)thiophene-3-carboxamide?
The InChIKey is DQKXGDKZDMLTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3OS/c24-20(16-11-12-25-14-16)21-19-13-18(15-7-3-1-4-8-15)22-23(19)17-9-5-2-6-10-17/h1-14H,(H,21,24).
What are the key properties of N-(1,3-diphenylpyrazol-5-yl)thiophene-3-carboxamide?
N-(1,3-diphenylpyrazol-5-yl)thiophene-3-carboxamide has a molecular weight of 345.43 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-diphenylpyrazol-5-yl)thiophene-3-carboxamide is sourced from PubChem (CID 11371383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).