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

C23H21N3OS — CID 164624996

IUPAC5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-phenylphenyl)thiophene-2-carboxamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(-c4ccccc4)cc3)s2)n1
InChIInChI=1S/C23H21N3OS/c1-16-14-17(2)26(25-16)15-21-12-13-22(28-21)23(27)24-20-10-8-19(9-11-20)18-6-4-3-5-7-18/h3-14H,15H2,1-2H3,(H,24,27)
InChIKeyGCVWLQWPHCSKJH-UHFFFAOYSA-N
MW387.51 g/mol
LogP5.53
Rot. Bonds5

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

5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-phenylphenyl)thiophene-2-carboxamide (PubChem CID 164624996) has the molecular formula C23H21N3OS and a molecular weight of 387.51 g/mol. Its IUPAC name is 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-phenylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-phenylphenyl)thiophene-2-carboxamide
PubChem CID164624996
Molecular FormulaC23H21N3OS
Molecular Weight387.51 g/mol
Exact Mass387.14
IUPAC Name5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-phenylphenyl)thiophene-2-carboxamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(-c4ccccc4)cc3)s2)n1
InChIInChI=1S/C23H21N3OS/c1-16-14-17(2)26(25-16)15-21-12-13-22(28-21)23(27)24-20-10-8-19(9-11-20)18-6-4-3-5-7-18/h3-14H,15H2,1-2H3,(H,24,27)
InChIKeyGCVWLQWPHCSKJH-UHFFFAOYSA-N
XLogP5.53
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.51
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-5-methylthiophene-2-carboxamide
CID 71837338
N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide
CID 998979
4-(3,5-dimethylpyrazol-1-yl)-N-phenylbutanamide
CID 39730494
1-[(5-chlorothiophen-2-yl)methyl]-3,5-dimethylpyrazole
CID 63812244
N-(4-bromophenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 94872709
N-(4-carbamoylphenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 48980777
3-(dimethylamino)-N-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]benzamide
CID 71837326
N-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-3-phenylprop-2-enamide
CID 71837307
N-(3-anilino-3-oxopropyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 131903962
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-pyridin-4-ylbenzamide
CID 49016835
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-methoxyphenyl)benzamide
CID 48980527
N-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-2,4-dimethylbenzamide
CID 71837333

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-phenylphenyl)thiophene-2-carboxamide?
The IUPAC name of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-phenylphenyl)thiophene-2-carboxamide (CID 164624996) is 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-phenylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-phenylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-phenylphenyl)thiophene-2-carboxamide is Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(-c4ccccc4)cc3)s2)n1.
What is the InChIKey of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-phenylphenyl)thiophene-2-carboxamide?
The InChIKey is GCVWLQWPHCSKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3OS/c1-16-14-17(2)26(25-16)15-21-12-13-22(28-21)23(27)24-20-10-8-19(9-11-20)18-6-4-3-5-7-18/h3-14H,15H2,1-2H3,(H,24,27).
What are the key properties of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-phenylphenyl)thiophene-2-carboxamide?
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-phenylphenyl)thiophene-2-carboxamide has a molecular weight of 387.51 g/mol, XLogP of 5.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-phenylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 164624996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).