5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-pyridin-3-ylphenyl)thiophene-2-carboxamide

C22H20N4OS — CID 164617763

IUPAC5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-pyridin-3-ylphenyl)thiophene-2-carboxamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(-c4cccnc4)cc3)s2)n1
InChIInChI=1S/C22H20N4OS/c1-15-12-16(2)26(25-15)14-20-9-10-21(28-20)22(27)24-19-7-5-17(6-8-19)18-4-3-11-23-13-18/h3-13H,14H2,1-2H3,(H,24,27)
InChIKeySATPWKMQYADNSO-UHFFFAOYSA-N
MW388.50 g/mol
LogP4.92
Rot. Bonds5

About 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-pyridin-3-ylphenyl)thiophene-2-carboxamide

5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-pyridin-3-ylphenyl)thiophene-2-carboxamide (PubChem CID 164617763) has the molecular formula C22H20N4OS and a molecular weight of 388.50 g/mol. Its IUPAC name is 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-pyridin-3-ylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-pyridin-3-ylphenyl)thiophene-2-carboxamide
PubChem CID164617763
Molecular FormulaC22H20N4OS
Molecular Weight388.50 g/mol
Exact Mass388.14
IUPAC Name5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-pyridin-3-ylphenyl)thiophene-2-carboxamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(-c4cccnc4)cc3)s2)n1
InChIInChI=1S/C22H20N4OS/c1-15-12-16(2)26(25-15)14-20-9-10-21(28-20)22(27)24-19-7-5-17(6-8-19)18-4-3-11-23-13-18/h3-13H,14H2,1-2H3,(H,24,27)
InChIKeySATPWKMQYADNSO-UHFFFAOYSA-N
XLogP4.92
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.50
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-pyridin-3-ylphenyl)thiophene-2-carboxamide?
The IUPAC name of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-pyridin-3-ylphenyl)thiophene-2-carboxamide (CID 164617763) is 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-pyridin-3-ylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-pyridin-3-ylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-pyridin-3-ylphenyl)thiophene-2-carboxamide is Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(-c4cccnc4)cc3)s2)n1.
What is the InChIKey of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-pyridin-3-ylphenyl)thiophene-2-carboxamide?
The InChIKey is SATPWKMQYADNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4OS/c1-15-12-16(2)26(25-15)14-20-9-10-21(28-20)22(27)24-19-7-5-17(6-8-19)18-4-3-11-23-13-18/h3-13H,14H2,1-2H3,(H,24,27).
What are the key properties of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-pyridin-3-ylphenyl)thiophene-2-carboxamide?
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-pyridin-3-ylphenyl)thiophene-2-carboxamide has a molecular weight of 388.50 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-pyridin-3-ylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 164617763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).