N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-5-methylthiophene-2-carboxamide

C23H21N3OS — CID 26117322

IUPACN-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)s1
InChIInChI=1S/C23H21N3OS/c1-17-12-13-21(28-17)23(27)24-14-20-16-26(15-18-8-4-2-5-9-18)25-22(20)19-10-6-3-7-11-19/h2-13,16H,14-15H2,1H3,(H,24,27)
InChIKeyUZDWBPZXWOPDNU-UHFFFAOYSA-N
MW387.51 g/mol
LogP4.90
Rot. Bonds6

About N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-5-methylthiophene-2-carboxamide

N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-5-methylthiophene-2-carboxamide (PubChem CID 26117322) has the molecular formula C23H21N3OS and a molecular weight of 387.51 g/mol. Its IUPAC name is N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-5-methylthiophene-2-carboxamide
PubChem CID26117322
Molecular FormulaC23H21N3OS
Molecular Weight387.51 g/mol
Exact Mass387.14
IUPAC NameN-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)s1
InChIInChI=1S/C23H21N3OS/c1-17-12-13-21(28-17)23(27)24-14-20-16-26(15-18-8-4-2-5-9-18)25-22(20)19-10-6-3-7-11-19/h2-13,16H,14-15H2,1H3,(H,24,27)
InChIKeyUZDWBPZXWOPDNU-UHFFFAOYSA-N
XLogP4.90
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]pyridine-4-carboxamide
CID 26117299
N-[(1-benzyl-3-phenylpyrazol-4-yl)methylideneamino]-5-methylthiophene-2-carboxamide
CID 4504151
(2R)-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-methoxypropanamide
CID 51966415
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]cyclopropanecarboxamide
CID 17454174
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-(tetrazol-1-yl)benzamide
CID 24668798
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-chloro-6-fluorobenzamide
CID 46553209
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-nitrobenzamide
CID 25488874
4-acetyl-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide
CID 24616530
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 24610550
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 78862908
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3-(methanesulfonamido)benzamide
CID 24610626
2-acetamido-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3-methylbutanamide
CID 24610533

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-5-methylthiophene-2-carboxamide (CID 26117322) is N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)s1.
What is the InChIKey of N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-5-methylthiophene-2-carboxamide?
The InChIKey is UZDWBPZXWOPDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3OS/c1-17-12-13-21(28-17)23(27)24-14-20-16-26(15-18-8-4-2-5-9-18)25-22(20)19-10-6-3-7-11-19/h2-13,16H,14-15H2,1H3,(H,24,27).
What are the key properties of N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-5-methylthiophene-2-carboxamide?
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-5-methylthiophene-2-carboxamide has a molecular weight of 387.51 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 26117322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).