N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-methyl-1-benzothiophen-2-yl)acetamide

C17H17N3OS — CID 22176888

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-methyl-1-benzothiophen-2-yl)acetamide
SMILESCc1c(CC(=O)Nc2cc(C3CC3)[nH]n2)sc2ccccc12
InChIInChI=1S/C17H17N3OS/c1-10-12-4-2-3-5-14(12)22-15(10)9-17(21)18-16-8-13(19-20-16)11-6-7-11/h2-5,8,11H,6-7,9H2,1H3,(H2,18,19,20,21)
InChIKeyKPSHVLKASKXIQN-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.99
Rot. Bonds4

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-methyl-1-benzothiophen-2-yl)acetamide

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-methyl-1-benzothiophen-2-yl)acetamide (PubChem CID 22176888) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-methyl-1-benzothiophen-2-yl)acetamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-methyl-1-benzothiophen-2-yl)acetamide
PubChem CID22176888
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-methyl-1-benzothiophen-2-yl)acetamide
SMILESCc1c(CC(=O)Nc2cc(C3CC3)[nH]n2)sc2ccccc12
InChIInChI=1S/C17H17N3OS/c1-10-12-4-2-3-5-14(12)22-15(10)9-17(21)18-16-8-13(19-20-16)11-6-7-11/h2-5,8,11H,6-7,9H2,1H3,(H2,18,19,20,21)
InChIKeyKPSHVLKASKXIQN-UHFFFAOYSA-N
XLogP3.99
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-methyl-1-benzothiophen-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-methyl-1-benzothiophen-2-yl)acetamide?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-methyl-1-benzothiophen-2-yl)acetamide (CID 22176888) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-methyl-1-benzothiophen-2-yl)acetamide.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-methyl-1-benzothiophen-2-yl)acetamide?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-methyl-1-benzothiophen-2-yl)acetamide is Cc1c(CC(=O)Nc2cc(C3CC3)[nH]n2)sc2ccccc12.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-methyl-1-benzothiophen-2-yl)acetamide?
The InChIKey is KPSHVLKASKXIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c1-10-12-4-2-3-5-14(12)22-15(10)9-17(21)18-16-8-13(19-20-16)11-6-7-11/h2-5,8,11H,6-7,9H2,1H3,(H2,18,19,20,21).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-methyl-1-benzothiophen-2-yl)acetamide?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-methyl-1-benzothiophen-2-yl)acetamide has a molecular weight of 311.41 g/mol, XLogP of 3.99, 4 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-(3-methyl-1-benzothiophen-2-yl)acetamide is sourced from PubChem (CID 22176888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).