4-[4-(1-methylpyrazol-3-yl)phenyl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide

C21H24N4O2S — CID 10000832

IUPAC4-[4-(1-methylpyrazol-3-yl)phenyl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide
SMILESCn1ccc(-c2ccc(-c3csc(C(=O)NCCN4CCOCC4)c3)cc2)n1
InChIInChI=1S/C21H24N4O2S/c1-24-8-6-19(23-24)17-4-2-16(3-5-17)18-14-20(28-15-18)21(26)22-7-9-25-10-12-27-13-11-25/h2-6,8,14-15H,7,9-13H2,1H3,(H,22,26)
InChIKeyYCYNDXRZUIPDGI-UHFFFAOYSA-N
MW396.52 g/mol
LogP2.88
Rot. Bonds6

About 4-[4-(1-methylpyrazol-3-yl)phenyl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide

4-[4-(1-methylpyrazol-3-yl)phenyl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide (PubChem CID 10000832) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is 4-[4-(1-methylpyrazol-3-yl)phenyl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[4-(1-methylpyrazol-3-yl)phenyl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide
PubChem CID10000832
Molecular FormulaC21H24N4O2S
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC Name4-[4-(1-methylpyrazol-3-yl)phenyl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide
SMILESCn1ccc(-c2ccc(-c3csc(C(=O)NCCN4CCOCC4)c3)cc2)n1
InChIInChI=1S/C21H24N4O2S/c1-24-8-6-19(23-24)17-4-2-16(3-5-17)18-14-20(28-15-18)21(26)22-7-9-25-10-12-27-13-11-25/h2-6,8,14-15H,7,9-13H2,1H3,(H,22,26)
InChIKeyYCYNDXRZUIPDGI-UHFFFAOYSA-N
XLogP2.88
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[4-(1-methylpyrazol-3-yl)phenyl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide 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 4-[4-(1-methylpyrazol-3-yl)phenyl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide?
The IUPAC name of 4-[4-(1-methylpyrazol-3-yl)phenyl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide (CID 10000832) is 4-[4-(1-methylpyrazol-3-yl)phenyl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-[4-(1-methylpyrazol-3-yl)phenyl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide?
The canonical SMILES for 4-[4-(1-methylpyrazol-3-yl)phenyl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide is Cn1ccc(-c2ccc(-c3csc(C(=O)NCCN4CCOCC4)c3)cc2)n1.
What is the InChIKey of 4-[4-(1-methylpyrazol-3-yl)phenyl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide?
The InChIKey is YCYNDXRZUIPDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S/c1-24-8-6-19(23-24)17-4-2-16(3-5-17)18-14-20(28-15-18)21(26)22-7-9-25-10-12-27-13-11-25/h2-6,8,14-15H,7,9-13H2,1H3,(H,22,26).
What are the key properties of 4-[4-(1-methylpyrazol-3-yl)phenyl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide?
4-[4-(1-methylpyrazol-3-yl)phenyl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide has a molecular weight of 396.52 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-methylpyrazol-3-yl)phenyl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 10000832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).