1-benzyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide

C20H17N3OS2 — CID 9360117

IUPAC1-benzyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide
SMILESO=C(NCc1cccs1)c1cn(Cc2ccccc2)nc1-c1cccs1
InChIInChI=1S/C20H17N3OS2/c24-20(21-12-16-8-4-10-25-16)17-14-23(13-15-6-2-1-3-7-15)22-19(17)18-9-5-11-26-18/h1-11,14H,12-13H2,(H,21,24)
InChIKeySCSQQAQQRJQVOJ-UHFFFAOYSA-N
MW379.51 g/mol
LogP4.65
Rot. Bonds6

About 1-benzyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide

1-benzyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide (PubChem CID 9360117) has the molecular formula C20H17N3OS2 and a molecular weight of 379.51 g/mol. Its IUPAC name is 1-benzyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide
PubChem CID9360117
Molecular FormulaC20H17N3OS2
Molecular Weight379.51 g/mol
Exact Mass379.08
IUPAC Name1-benzyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide
SMILESO=C(NCc1cccs1)c1cn(Cc2ccccc2)nc1-c1cccs1
InChIInChI=1S/C20H17N3OS2/c24-20(21-12-16-8-4-10-25-16)17-14-23(13-15-6-2-1-3-7-15)22-19(17)18-9-5-11-26-18/h1-11,14H,12-13H2,(H,21,24)
InChIKeySCSQQAQQRJQVOJ-UHFFFAOYSA-N
XLogP4.65
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N-[(4-methoxyphenyl)methyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 9208106
1-benzyl-N-[2-(dimethylamino)-2-oxoethyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 9480877
N-(3-anilinopropyl)-1-benzyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 56586324
1-benzyl-N-[[4-(methylsulfamoyl)phenyl]methyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 46454982
1-benzyl-N-propan-2-yl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 42282124
1-benzyl-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 55846538
1-benzyl-N-(2-morpholin-4-ylethyl)-3-thiophen-2-ylpyrazole-4-carboxamide
CID 17474823
1-benzyl-N-[2-(cyclohexanecarbonylamino)ethyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 55805749
1-benzyl-N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 55876505
1-benzyl-N-(2-pyridin-2-ylethyl)-3-thiophen-2-ylpyrazole-4-carboxamide
CID 29352915
1-benzyl-N-(oxolan-2-ylmethyl)-3-thiophen-2-ylpyrazole-4-carboxamide
CID 24624909
1-benzyl-N'-(2-methylfuran-3-carbonyl)-3-thiophen-2-ylpyrazole-4-carbohydrazide
CID 9326455

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide (CID 9360117) is 1-benzyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide is O=C(NCc1cccs1)c1cn(Cc2ccccc2)nc1-c1cccs1.
What is the InChIKey of 1-benzyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is SCSQQAQQRJQVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3OS2/c24-20(21-12-16-8-4-10-25-16)17-14-23(13-15-6-2-1-3-7-15)22-19(17)18-9-5-11-26-18/h1-11,14H,12-13H2,(H,21,24).
What are the key properties of 1-benzyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide?
1-benzyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 379.51 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 9360117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).