N-(5-propyl-1H-pyrazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide

C15H19N3OS — CID 115745995

IUPACN-(5-propyl-1H-pyrazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide
SMILESCCCc1cc(NC(=O)C2CCCc3sccc32)n[nH]1
InChIInChI=1S/C15H19N3OS/c1-2-4-10-9-14(18-17-10)16-15(19)12-5-3-6-13-11(12)7-8-20-13/h7-9,12H,2-6H2,1H3,(H2,16,17,18,19)
InChIKeyRYUYMXJBBWQYKY-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.48
Rot. Bonds4

About N-(5-propyl-1H-pyrazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide

N-(5-propyl-1H-pyrazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide (PubChem CID 115745995) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N-(5-propyl-1H-pyrazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide.

Molecular Properties

Compound NameN-(5-propyl-1H-pyrazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide
PubChem CID115745995
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN-(5-propyl-1H-pyrazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide
SMILESCCCc1cc(NC(=O)C2CCCc3sccc32)n[nH]1
InChIInChI=1S/C15H19N3OS/c1-2-4-10-9-14(18-17-10)16-15(19)12-5-3-6-13-11(12)7-8-20-13/h7-9,12H,2-6H2,1H3,(H2,16,17,18,19)
InChIKeyRYUYMXJBBWQYKY-UHFFFAOYSA-N
XLogP3.48
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-propyl-1H-pyrazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide?
The IUPAC name of N-(5-propyl-1H-pyrazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide (CID 115745995) is N-(5-propyl-1H-pyrazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide.
What is the SMILES notation for N-(5-propyl-1H-pyrazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide?
The canonical SMILES for N-(5-propyl-1H-pyrazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide is CCCc1cc(NC(=O)C2CCCc3sccc32)n[nH]1.
What is the InChIKey of N-(5-propyl-1H-pyrazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide?
The InChIKey is RYUYMXJBBWQYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-2-4-10-9-14(18-17-10)16-15(19)12-5-3-6-13-11(12)7-8-20-13/h7-9,12H,2-6H2,1H3,(H2,16,17,18,19).
What are the key properties of N-(5-propyl-1H-pyrazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide?
N-(5-propyl-1H-pyrazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-propyl-1H-pyrazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide is sourced from PubChem (CID 115745995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).