N-[(3-methylthiophen-2-yl)methyl]-3-(pyrazol-1-ylmethyl)benzamide

C17H17N3OS — CID 50956025

IUPACN-[(3-methylthiophen-2-yl)methyl]-3-(pyrazol-1-ylmethyl)benzamide
SMILESCc1ccsc1CNC(=O)c1cccc(Cn2cccn2)c1
InChIInChI=1S/C17H17N3OS/c1-13-6-9-22-16(13)11-18-17(21)15-5-2-4-14(10-15)12-20-8-3-7-19-20/h2-10H,11-12H2,1H3,(H,18,21)
InChIKeyLVPNDYFJDCLPFK-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.23
Rot. Bonds5

About N-[(3-methylthiophen-2-yl)methyl]-3-(pyrazol-1-ylmethyl)benzamide

N-[(3-methylthiophen-2-yl)methyl]-3-(pyrazol-1-ylmethyl)benzamide (PubChem CID 50956025) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is N-[(3-methylthiophen-2-yl)methyl]-3-(pyrazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(3-methylthiophen-2-yl)methyl]-3-(pyrazol-1-ylmethyl)benzamide
PubChem CID50956025
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC NameN-[(3-methylthiophen-2-yl)methyl]-3-(pyrazol-1-ylmethyl)benzamide
SMILESCc1ccsc1CNC(=O)c1cccc(Cn2cccn2)c1
InChIInChI=1S/C17H17N3OS/c1-13-6-9-22-16(13)11-18-17(21)15-5-2-4-14(10-15)12-20-8-3-7-19-20/h2-10H,11-12H2,1H3,(H,18,21)
InChIKeyLVPNDYFJDCLPFK-UHFFFAOYSA-N
XLogP3.23
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-phenylethyl)-3-(pyrazol-1-ylmethyl)benzamide
CID 35764030
N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-3-(pyrazol-1-ylmethyl)benzamide
CID 56909821
3-(propylsulfonylamino)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55954530
N-(2-propoxyethyl)-3-(pyrazol-1-ylmethyl)benzamide
CID 70772428
N-ethyl-3-[[[N'-methyl-N-[(3-methylthiophen-2-yl)methyl]carbamimidoyl]amino]methyl]benzamide;hydroiodide
CID 111892602
N-[[2-[(ethylsulfonylamino)methyl]-4-pyridinyl]methyl]-3-(pyrazol-1-ylmethyl)benzamide
CID 163312905
4-(diethylaminomethyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55953894
N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-3-(pyrazol-1-ylmethyl)benzamide
CID 50953115
1-[(3-methylthiophen-2-yl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
CID 94206368
N-[(3-methylthiophen-2-yl)methyl]-2-pyrazol-1-ylpropanamide
CID 47163720
N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3-(pyrazol-1-ylmethyl)benzamide
CID 50974491
4-[(3-methylthiophen-2-yl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 112700639

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylthiophen-2-yl)methyl]-3-(pyrazol-1-ylmethyl)benzamide?
The IUPAC name of N-[(3-methylthiophen-2-yl)methyl]-3-(pyrazol-1-ylmethyl)benzamide (CID 50956025) is N-[(3-methylthiophen-2-yl)methyl]-3-(pyrazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[(3-methylthiophen-2-yl)methyl]-3-(pyrazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[(3-methylthiophen-2-yl)methyl]-3-(pyrazol-1-ylmethyl)benzamide is Cc1ccsc1CNC(=O)c1cccc(Cn2cccn2)c1.
What is the InChIKey of N-[(3-methylthiophen-2-yl)methyl]-3-(pyrazol-1-ylmethyl)benzamide?
The InChIKey is LVPNDYFJDCLPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c1-13-6-9-22-16(13)11-18-17(21)15-5-2-4-14(10-15)12-20-8-3-7-19-20/h2-10H,11-12H2,1H3,(H,18,21).
What are the key properties of N-[(3-methylthiophen-2-yl)methyl]-3-(pyrazol-1-ylmethyl)benzamide?
N-[(3-methylthiophen-2-yl)methyl]-3-(pyrazol-1-ylmethyl)benzamide has a molecular weight of 311.41 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylthiophen-2-yl)methyl]-3-(pyrazol-1-ylmethyl)benzamide is sourced from PubChem (CID 50956025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).