3-(4-bromophenyl)sulfanyl-N-(2-pyrazol-1-yl-3-pyridinyl)propanamide

C17H15BrN4OS — CID 60567720

IUPAC3-(4-bromophenyl)sulfanyl-N-(2-pyrazol-1-yl-3-pyridinyl)propanamide
SMILESO=C(CCSc1ccc(Br)cc1)Nc1cccnc1-n1cccn1
InChIInChI=1S/C17H15BrN4OS/c18-13-4-6-14(7-5-13)24-12-8-16(23)21-15-3-1-9-19-17(15)22-11-2-10-20-22/h1-7,9-11H,8,12H2,(H,21,23)
InChIKeyVYIVPZICDGPBNA-UHFFFAOYSA-N
MW403.31 g/mol
LogP4.15
Rot. Bonds6

About 3-(4-bromophenyl)sulfanyl-N-(2-pyrazol-1-yl-3-pyridinyl)propanamide

3-(4-bromophenyl)sulfanyl-N-(2-pyrazol-1-yl-3-pyridinyl)propanamide (PubChem CID 60567720) has the molecular formula C17H15BrN4OS and a molecular weight of 403.31 g/mol. Its IUPAC name is 3-(4-bromophenyl)sulfanyl-N-(2-pyrazol-1-yl-3-pyridinyl)propanamide.

Molecular Properties

Compound Name3-(4-bromophenyl)sulfanyl-N-(2-pyrazol-1-yl-3-pyridinyl)propanamide
PubChem CID60567720
Molecular FormulaC17H15BrN4OS
Molecular Weight403.31 g/mol
Exact Mass402.01
IUPAC Name3-(4-bromophenyl)sulfanyl-N-(2-pyrazol-1-yl-3-pyridinyl)propanamide
SMILESO=C(CCSc1ccc(Br)cc1)Nc1cccnc1-n1cccn1
InChIInChI=1S/C17H15BrN4OS/c18-13-4-6-14(7-5-13)24-12-8-16(23)21-15-3-1-9-19-17(15)22-11-2-10-20-22/h1-7,9-11H,8,12H2,(H,21,23)
InChIKeyVYIVPZICDGPBNA-UHFFFAOYSA-N
XLogP4.15
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.31
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)sulfanyl-N-(2-pyrazol-1-yl-3-pyridinyl)propanamide?
The IUPAC name of 3-(4-bromophenyl)sulfanyl-N-(2-pyrazol-1-yl-3-pyridinyl)propanamide (CID 60567720) is 3-(4-bromophenyl)sulfanyl-N-(2-pyrazol-1-yl-3-pyridinyl)propanamide.
What is the SMILES notation for 3-(4-bromophenyl)sulfanyl-N-(2-pyrazol-1-yl-3-pyridinyl)propanamide?
The canonical SMILES for 3-(4-bromophenyl)sulfanyl-N-(2-pyrazol-1-yl-3-pyridinyl)propanamide is O=C(CCSc1ccc(Br)cc1)Nc1cccnc1-n1cccn1.
What is the InChIKey of 3-(4-bromophenyl)sulfanyl-N-(2-pyrazol-1-yl-3-pyridinyl)propanamide?
The InChIKey is VYIVPZICDGPBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN4OS/c18-13-4-6-14(7-5-13)24-12-8-16(23)21-15-3-1-9-19-17(15)22-11-2-10-20-22/h1-7,9-11H,8,12H2,(H,21,23).
What are the key properties of 3-(4-bromophenyl)sulfanyl-N-(2-pyrazol-1-yl-3-pyridinyl)propanamide?
3-(4-bromophenyl)sulfanyl-N-(2-pyrazol-1-yl-3-pyridinyl)propanamide has a molecular weight of 403.31 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)sulfanyl-N-(2-pyrazol-1-yl-3-pyridinyl)propanamide is sourced from PubChem (CID 60567720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).