2-methyl-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)-N-thiophen-2-ylbenzamide

C20H16N4OS — CID 67183872

IUPAC2-methyl-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)-N-thiophen-2-ylbenzamide
SMILESCc1c(C(=O)Nc2cccs2)cccc1-c1[nH]ncc1-c1ccncc1
InChIInChI=1S/C20H16N4OS/c1-13-15(19-17(12-22-24-19)14-7-9-21-10-8-14)4-2-5-16(13)20(25)23-18-6-3-11-26-18/h2-12H,1H3,(H,22,24)(H,23,25)
InChIKeyVQMQQKJRFZSUFL-UHFFFAOYSA-N
MW360.44 g/mol
LogP4.76
Rot. Bonds4

About 2-methyl-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)-N-thiophen-2-ylbenzamide

2-methyl-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)-N-thiophen-2-ylbenzamide (PubChem CID 67183872) has the molecular formula C20H16N4OS and a molecular weight of 360.44 g/mol. Its IUPAC name is 2-methyl-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)-N-thiophen-2-ylbenzamide.

Molecular Properties

Compound Name2-methyl-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)-N-thiophen-2-ylbenzamide
PubChem CID67183872
Molecular FormulaC20H16N4OS
Molecular Weight360.44 g/mol
Exact Mass360.10
IUPAC Name2-methyl-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)-N-thiophen-2-ylbenzamide
SMILESCc1c(C(=O)Nc2cccs2)cccc1-c1[nH]ncc1-c1ccncc1
InChIInChI=1S/C20H16N4OS/c1-13-15(19-17(12-22-24-19)14-7-9-21-10-8-14)4-2-5-16(13)20(25)23-18-6-3-11-26-18/h2-12H,1H3,(H,22,24)(H,23,25)
InChIKeyVQMQQKJRFZSUFL-UHFFFAOYSA-N
XLogP4.76
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)-N-thiophen-2-ylbenzamide?
The IUPAC name of 2-methyl-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)-N-thiophen-2-ylbenzamide (CID 67183872) is 2-methyl-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)-N-thiophen-2-ylbenzamide.
What is the SMILES notation for 2-methyl-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)-N-thiophen-2-ylbenzamide?
The canonical SMILES for 2-methyl-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)-N-thiophen-2-ylbenzamide is Cc1c(C(=O)Nc2cccs2)cccc1-c1[nH]ncc1-c1ccncc1.
What is the InChIKey of 2-methyl-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)-N-thiophen-2-ylbenzamide?
The InChIKey is VQMQQKJRFZSUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4OS/c1-13-15(19-17(12-22-24-19)14-7-9-21-10-8-14)4-2-5-16(13)20(25)23-18-6-3-11-26-18/h2-12H,1H3,(H,22,24)(H,23,25).
What are the key properties of 2-methyl-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)-N-thiophen-2-ylbenzamide?
2-methyl-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)-N-thiophen-2-ylbenzamide has a molecular weight of 360.44 g/mol, XLogP of 4.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)-N-thiophen-2-ylbenzamide is sourced from PubChem (CID 67183872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).