2-phenyl-N-(5-propyl-3-thiophen-2-yl-1H-pyrazol-4-yl)acetamide

C18H19N3OS — CID 42687233

IUPAC2-phenyl-N-(5-propyl-3-thiophen-2-yl-1H-pyrazol-4-yl)acetamide
SMILESCCCc1[nH]nc(-c2cccs2)c1NC(=O)Cc1ccccc1
InChIInChI=1S/C18H19N3OS/c1-2-7-14-17(18(21-20-14)15-10-6-11-23-15)19-16(22)12-13-8-4-3-5-9-13/h3-6,8-11H,2,7,12H2,1H3,(H,19,22)(H,20,21)
InChIKeyMVPHZQIHADPCCW-UHFFFAOYSA-N
MW325.44 g/mol
LogP4.27
Rot. Bonds6

About 2-phenyl-N-(5-propyl-3-thiophen-2-yl-1H-pyrazol-4-yl)acetamide

2-phenyl-N-(5-propyl-3-thiophen-2-yl-1H-pyrazol-4-yl)acetamide (PubChem CID 42687233) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is 2-phenyl-N-(5-propyl-3-thiophen-2-yl-1H-pyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-phenyl-N-(5-propyl-3-thiophen-2-yl-1H-pyrazol-4-yl)acetamide
PubChem CID42687233
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name2-phenyl-N-(5-propyl-3-thiophen-2-yl-1H-pyrazol-4-yl)acetamide
SMILESCCCc1[nH]nc(-c2cccs2)c1NC(=O)Cc1ccccc1
InChIInChI=1S/C18H19N3OS/c1-2-7-14-17(18(21-20-14)15-10-6-11-23-15)19-16(22)12-13-8-4-3-5-9-13/h3-6,8-11H,2,7,12H2,1H3,(H,19,22)(H,20,21)
InChIKeyMVPHZQIHADPCCW-UHFFFAOYSA-N
XLogP4.27
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(5-propyl-3-thiophen-2-yl-1H-pyrazol-4-yl)acetamide?
The IUPAC name of 2-phenyl-N-(5-propyl-3-thiophen-2-yl-1H-pyrazol-4-yl)acetamide (CID 42687233) is 2-phenyl-N-(5-propyl-3-thiophen-2-yl-1H-pyrazol-4-yl)acetamide.
What is the SMILES notation for 2-phenyl-N-(5-propyl-3-thiophen-2-yl-1H-pyrazol-4-yl)acetamide?
The canonical SMILES for 2-phenyl-N-(5-propyl-3-thiophen-2-yl-1H-pyrazol-4-yl)acetamide is CCCc1[nH]nc(-c2cccs2)c1NC(=O)Cc1ccccc1.
What is the InChIKey of 2-phenyl-N-(5-propyl-3-thiophen-2-yl-1H-pyrazol-4-yl)acetamide?
The InChIKey is MVPHZQIHADPCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-2-7-14-17(18(21-20-14)15-10-6-11-23-15)19-16(22)12-13-8-4-3-5-9-13/h3-6,8-11H,2,7,12H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 2-phenyl-N-(5-propyl-3-thiophen-2-yl-1H-pyrazol-4-yl)acetamide?
2-phenyl-N-(5-propyl-3-thiophen-2-yl-1H-pyrazol-4-yl)acetamide has a molecular weight of 325.44 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(5-propyl-3-thiophen-2-yl-1H-pyrazol-4-yl)acetamide is sourced from PubChem (CID 42687233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).