N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-thiophen-2-ylphenyl)acetamide

C18H17N3OS — CID 5331007

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-thiophen-2-ylphenyl)acetamide
SMILESO=C(Cc1ccc(-c2cccs2)cc1)Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C18H17N3OS/c22-18(19-17-11-15(20-21-17)13-7-8-13)10-12-3-5-14(6-4-12)16-2-1-9-23-16/h1-6,9,11,13H,7-8,10H2,(H2,19,20,21,22)
InChIKeyLQBKAYJFACGUCC-UHFFFAOYSA-N
MW323.42 g/mol
LogP4.20
Rot. Bonds5

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-thiophen-2-ylphenyl)acetamide

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-thiophen-2-ylphenyl)acetamide (PubChem CID 5331007) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-thiophen-2-ylphenyl)acetamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-thiophen-2-ylphenyl)acetamide
PubChem CID5331007
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-thiophen-2-ylphenyl)acetamide
SMILESO=C(Cc1ccc(-c2cccs2)cc1)Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C18H17N3OS/c22-18(19-17-11-15(20-21-17)13-7-8-13)10-12-3-5-14(6-4-12)16-2-1-9-23-16/h1-6,9,11,13H,7-8,10H2,(H2,19,20,21,22)
InChIKeyLQBKAYJFACGUCC-UHFFFAOYSA-N
XLogP4.20
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-thiophen-2-ylphenyl)acetamide?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-thiophen-2-ylphenyl)acetamide (CID 5331007) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-thiophen-2-ylphenyl)acetamide.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-thiophen-2-ylphenyl)acetamide?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-thiophen-2-ylphenyl)acetamide is O=C(Cc1ccc(-c2cccs2)cc1)Nc1cc(C2CC2)[nH]n1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-thiophen-2-ylphenyl)acetamide?
The InChIKey is LQBKAYJFACGUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS/c22-18(19-17-11-15(20-21-17)13-7-8-13)10-12-3-5-14(6-4-12)16-2-1-9-23-16/h1-6,9,11,13H,7-8,10H2,(H2,19,20,21,22).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-thiophen-2-ylphenyl)acetamide?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-thiophen-2-ylphenyl)acetamide has a molecular weight of 323.42 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-thiophen-2-ylphenyl)acetamide is sourced from PubChem (CID 5331007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).