N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]-3-phenylpropanamide

C17H17N3OS — CID 53163541

IUPACN-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]-3-phenylpropanamide
SMILESCc1sc(-c2ccn[nH]2)cc1NC(=O)CCc1ccccc1
InChIInChI=1S/C17H17N3OS/c1-12-15(11-16(22-12)14-9-10-18-20-14)19-17(21)8-7-13-5-3-2-4-6-13/h2-6,9-11H,7-8H2,1H3,(H,18,20)(H,19,21)
InChIKeyGSMBWWARFWBSNN-UHFFFAOYSA-N
MW311.41 g/mol
LogP4.02
Rot. Bonds5

About N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]-3-phenylpropanamide

N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]-3-phenylpropanamide (PubChem CID 53163541) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]-3-phenylpropanamide
PubChem CID53163541
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC NameN-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]-3-phenylpropanamide
SMILESCc1sc(-c2ccn[nH]2)cc1NC(=O)CCc1ccccc1
InChIInChI=1S/C17H17N3OS/c1-12-15(11-16(22-12)14-9-10-18-20-14)19-17(21)8-7-13-5-3-2-4-6-13/h2-6,9-11H,7-8H2,1H3,(H,18,20)(H,19,21)
InChIKeyGSMBWWARFWBSNN-UHFFFAOYSA-N
XLogP4.02
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]-3-phenylpropanamide?
The IUPAC name of N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]-3-phenylpropanamide (CID 53163541) is N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]-3-phenylpropanamide?
The canonical SMILES for N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]-3-phenylpropanamide is Cc1sc(-c2ccn[nH]2)cc1NC(=O)CCc1ccccc1.
What is the InChIKey of N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]-3-phenylpropanamide?
The InChIKey is GSMBWWARFWBSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c1-12-15(11-16(22-12)14-9-10-18-20-14)19-17(21)8-7-13-5-3-2-4-6-13/h2-6,9-11H,7-8H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]-3-phenylpropanamide?
N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]-3-phenylpropanamide has a molecular weight of 311.41 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]-3-phenylpropanamide is sourced from PubChem (CID 53163541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).