4-[[methyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]-N-(1-methylpyrazol-4-yl)benzamide

C19H22N4OS — CID 50974629

IUPAC4-[[methyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]-N-(1-methylpyrazol-4-yl)benzamide
SMILESCc1ccsc1CN(C)Cc1ccc(C(=O)Nc2cnn(C)c2)cc1
InChIInChI=1S/C19H22N4OS/c1-14-8-9-25-18(14)13-22(2)11-15-4-6-16(7-5-15)19(24)21-17-10-20-23(3)12-17/h4-10,12H,11,13H2,1-3H3,(H,21,24)
InChIKeyPZNZPWIZBFGTQL-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.67
Rot. Bonds6

About 4-[[methyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]-N-(1-methylpyrazol-4-yl)benzamide

4-[[methyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]-N-(1-methylpyrazol-4-yl)benzamide (PubChem CID 50974629) has the molecular formula C19H22N4OS and a molecular weight of 354.48 g/mol. Its IUPAC name is 4-[[methyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]-N-(1-methylpyrazol-4-yl)benzamide.

Molecular Properties

Compound Name4-[[methyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]-N-(1-methylpyrazol-4-yl)benzamide
PubChem CID50974629
Molecular FormulaC19H22N4OS
Molecular Weight354.48 g/mol
Exact Mass354.15
IUPAC Name4-[[methyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]-N-(1-methylpyrazol-4-yl)benzamide
SMILESCc1ccsc1CN(C)Cc1ccc(C(=O)Nc2cnn(C)c2)cc1
InChIInChI=1S/C19H22N4OS/c1-14-8-9-25-18(14)13-22(2)11-15-4-6-16(7-5-15)19(24)21-17-10-20-23(3)12-17/h4-10,12H,11,13H2,1-3H3,(H,21,24)
InChIKeyPZNZPWIZBFGTQL-UHFFFAOYSA-N
XLogP3.67
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[methyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]-N-(1-methylpyrazol-4-yl)benzamide?
The IUPAC name of 4-[[methyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]-N-(1-methylpyrazol-4-yl)benzamide (CID 50974629) is 4-[[methyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]-N-(1-methylpyrazol-4-yl)benzamide.
What is the SMILES notation for 4-[[methyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]-N-(1-methylpyrazol-4-yl)benzamide?
The canonical SMILES for 4-[[methyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]-N-(1-methylpyrazol-4-yl)benzamide is Cc1ccsc1CN(C)Cc1ccc(C(=O)Nc2cnn(C)c2)cc1.
What is the InChIKey of 4-[[methyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]-N-(1-methylpyrazol-4-yl)benzamide?
The InChIKey is PZNZPWIZBFGTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OS/c1-14-8-9-25-18(14)13-22(2)11-15-4-6-16(7-5-15)19(24)21-17-10-20-23(3)12-17/h4-10,12H,11,13H2,1-3H3,(H,21,24).
What are the key properties of 4-[[methyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]-N-(1-methylpyrazol-4-yl)benzamide?
4-[[methyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]-N-(1-methylpyrazol-4-yl)benzamide has a molecular weight of 354.48 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]-N-(1-methylpyrazol-4-yl)benzamide is sourced from PubChem (CID 50974629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).