5-methyl-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]thiophene-2-carboxamide

C20H22N4OS — CID 91887781

IUPAC5-methyl-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NC2CCCN(c3cc(-c4ccccc4)[nH]n3)C2)s1
InChIInChI=1S/C20H22N4OS/c1-14-9-10-18(26-14)20(25)21-16-8-5-11-24(13-16)19-12-17(22-23-19)15-6-3-2-4-7-15/h2-4,6-7,9-10,12,16H,5,8,11,13H2,1H3,(H,21,25)(H,22,23)
InChIKeyNVHKIAUDJHUWJT-UHFFFAOYSA-N
MW366.49 g/mol
LogP3.85
Rot. Bonds4

About 5-methyl-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]thiophene-2-carboxamide

5-methyl-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]thiophene-2-carboxamide (PubChem CID 91887781) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is 5-methyl-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]thiophene-2-carboxamide
PubChem CID91887781
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC Name5-methyl-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NC2CCCN(c3cc(-c4ccccc4)[nH]n3)C2)s1
InChIInChI=1S/C20H22N4OS/c1-14-9-10-18(26-14)20(25)21-16-8-5-11-24(13-16)19-12-17(22-23-19)15-6-3-2-4-7-15/h2-4,6-7,9-10,12,16H,5,8,11,13H2,1H3,(H,21,25)(H,22,23)
InChIKeyNVHKIAUDJHUWJT-UHFFFAOYSA-N
XLogP3.85
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-methyl-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]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 5-methyl-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]thiophene-2-carboxamide (CID 91887781) is 5-methyl-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]thiophene-2-carboxamide is Cc1ccc(C(=O)NC2CCCN(c3cc(-c4ccccc4)[nH]n3)C2)s1.
What is the InChIKey of 5-methyl-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]thiophene-2-carboxamide?
The InChIKey is NVHKIAUDJHUWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c1-14-9-10-18(26-14)20(25)21-16-8-5-11-24(13-16)19-12-17(22-23-19)15-6-3-2-4-7-15/h2-4,6-7,9-10,12,16H,5,8,11,13H2,1H3,(H,21,25)(H,22,23).
What are the key properties of 5-methyl-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]thiophene-2-carboxamide?
5-methyl-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]thiophene-2-carboxamide has a molecular weight of 366.49 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 91887781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).