N-(1-benzylpyrazol-3-yl)-2-[4-(3-methylthiophen-2-yl)pyrazol-1-yl]acetamide

C20H19N5OS — CID 46983417

IUPACN-(1-benzylpyrazol-3-yl)-2-[4-(3-methylthiophen-2-yl)pyrazol-1-yl]acetamide
SMILESCc1ccsc1-c1cnn(CC(=O)Nc2ccn(Cc3ccccc3)n2)c1
InChIInChI=1S/C20H19N5OS/c1-15-8-10-27-20(15)17-11-21-25(13-17)14-19(26)22-18-7-9-24(23-18)12-16-5-3-2-4-6-16/h2-11,13H,12,14H2,1H3,(H,22,23,26)
InChIKeyIGDAACSPAIQDGG-UHFFFAOYSA-N
MW377.47 g/mol
LogP3.80
Rot. Bonds6

About N-(1-benzylpyrazol-3-yl)-2-[4-(3-methylthiophen-2-yl)pyrazol-1-yl]acetamide

N-(1-benzylpyrazol-3-yl)-2-[4-(3-methylthiophen-2-yl)pyrazol-1-yl]acetamide (PubChem CID 46983417) has the molecular formula C20H19N5OS and a molecular weight of 377.47 g/mol. Its IUPAC name is N-(1-benzylpyrazol-3-yl)-2-[4-(3-methylthiophen-2-yl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-3-yl)-2-[4-(3-methylthiophen-2-yl)pyrazol-1-yl]acetamide
PubChem CID46983417
Molecular FormulaC20H19N5OS
Molecular Weight377.47 g/mol
Exact Mass377.13
IUPAC NameN-(1-benzylpyrazol-3-yl)-2-[4-(3-methylthiophen-2-yl)pyrazol-1-yl]acetamide
SMILESCc1ccsc1-c1cnn(CC(=O)Nc2ccn(Cc3ccccc3)n2)c1
InChIInChI=1S/C20H19N5OS/c1-15-8-10-27-20(15)17-11-21-25(13-17)14-19(26)22-18-7-9-24(23-18)12-16-5-3-2-4-6-16/h2-11,13H,12,14H2,1H3,(H,22,23,26)
InChIKeyIGDAACSPAIQDGG-UHFFFAOYSA-N
XLogP3.80
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-3-yl)-2-[4-(3-methylthiophen-2-yl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(1-benzylpyrazol-3-yl)-2-[4-(3-methylthiophen-2-yl)pyrazol-1-yl]acetamide (CID 46983417) is N-(1-benzylpyrazol-3-yl)-2-[4-(3-methylthiophen-2-yl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(1-benzylpyrazol-3-yl)-2-[4-(3-methylthiophen-2-yl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(1-benzylpyrazol-3-yl)-2-[4-(3-methylthiophen-2-yl)pyrazol-1-yl]acetamide is Cc1ccsc1-c1cnn(CC(=O)Nc2ccn(Cc3ccccc3)n2)c1.
What is the InChIKey of N-(1-benzylpyrazol-3-yl)-2-[4-(3-methylthiophen-2-yl)pyrazol-1-yl]acetamide?
The InChIKey is IGDAACSPAIQDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5OS/c1-15-8-10-27-20(15)17-11-21-25(13-17)14-19(26)22-18-7-9-24(23-18)12-16-5-3-2-4-6-16/h2-11,13H,12,14H2,1H3,(H,22,23,26).
What are the key properties of N-(1-benzylpyrazol-3-yl)-2-[4-(3-methylthiophen-2-yl)pyrazol-1-yl]acetamide?
N-(1-benzylpyrazol-3-yl)-2-[4-(3-methylthiophen-2-yl)pyrazol-1-yl]acetamide has a molecular weight of 377.47 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-3-yl)-2-[4-(3-methylthiophen-2-yl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 46983417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).