N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]-1-benzothiophene-2-carboxamide

C19H16N4OS — CID 47091413

IUPACN-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccn(CCc2ccncc2)n1)c1cc2ccccc2s1
InChIInChI=1S/C19H16N4OS/c24-19(17-13-15-3-1-2-4-16(15)25-17)21-18-8-12-23(22-18)11-7-14-5-9-20-10-6-14/h1-6,8-10,12-13H,7,11H2,(H,21,22,24)
InChIKeyCZFJQKFESWDXLL-UHFFFAOYSA-N
MW348.43 g/mol
LogP3.99
Rot. Bonds5

About N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]-1-benzothiophene-2-carboxamide

N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]-1-benzothiophene-2-carboxamide (PubChem CID 47091413) has the molecular formula C19H16N4OS and a molecular weight of 348.43 g/mol. Its IUPAC name is N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]-1-benzothiophene-2-carboxamide
PubChem CID47091413
Molecular FormulaC19H16N4OS
Molecular Weight348.43 g/mol
Exact Mass348.10
IUPAC NameN-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccn(CCc2ccncc2)n1)c1cc2ccccc2s1
InChIInChI=1S/C19H16N4OS/c24-19(17-13-15-3-1-2-4-16(15)25-17)21-18-8-12-23(22-18)11-7-14-5-9-20-10-6-14/h1-6,8-10,12-13H,7,11H2,(H,21,22,24)
InChIKeyCZFJQKFESWDXLL-UHFFFAOYSA-N
XLogP3.99
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]-1-benzothiophene-2-carboxamide (CID 47091413) is N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]-1-benzothiophene-2-carboxamide is O=C(Nc1ccn(CCc2ccncc2)n1)c1cc2ccccc2s1.
What is the InChIKey of N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]-1-benzothiophene-2-carboxamide?
The InChIKey is CZFJQKFESWDXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS/c24-19(17-13-15-3-1-2-4-16(15)25-17)21-18-8-12-23(22-18)11-7-14-5-9-20-10-6-14/h1-6,8-10,12-13H,7,11H2,(H,21,22,24).
What are the key properties of N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]-1-benzothiophene-2-carboxamide?
N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]-1-benzothiophene-2-carboxamide has a molecular weight of 348.43 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 47091413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).