2-[3-(1,3-dimethylpyrazol-4-yl)pyrazol-1-yl]-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide

C18H19N7OS — CID 46999021

IUPAC2-[3-(1,3-dimethylpyrazol-4-yl)pyrazol-1-yl]-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
SMILESCc1nn(C)cc1-c1ccn(CC(=O)Nc2ccnn2Cc2cccs2)n1
InChIInChI=1S/C18H19N7OS/c1-13-15(11-23(2)21-13)16-6-8-24(22-16)12-18(26)20-17-5-7-19-25(17)10-14-4-3-9-27-14/h3-9,11H,10,12H2,1-2H3,(H,20,26)
InChIKeyCJCZMKDUWJUELD-UHFFFAOYSA-N
MW381.47 g/mol
LogP2.54
Rot. Bonds6

About 2-[3-(1,3-dimethylpyrazol-4-yl)pyrazol-1-yl]-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide

2-[3-(1,3-dimethylpyrazol-4-yl)pyrazol-1-yl]-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide (PubChem CID 46999021) has the molecular formula C18H19N7OS and a molecular weight of 381.47 g/mol. Its IUPAC name is 2-[3-(1,3-dimethylpyrazol-4-yl)pyrazol-1-yl]-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[3-(1,3-dimethylpyrazol-4-yl)pyrazol-1-yl]-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
PubChem CID46999021
Molecular FormulaC18H19N7OS
Molecular Weight381.47 g/mol
Exact Mass381.14
IUPAC Name2-[3-(1,3-dimethylpyrazol-4-yl)pyrazol-1-yl]-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
SMILESCc1nn(C)cc1-c1ccn(CC(=O)Nc2ccnn2Cc2cccs2)n1
InChIInChI=1S/C18H19N7OS/c1-13-15(11-23(2)21-13)16-6-8-24(22-16)12-18(26)20-17-5-7-19-25(17)10-14-4-3-9-27-14/h3-9,11H,10,12H2,1-2H3,(H,20,26)
InChIKeyCJCZMKDUWJUELD-UHFFFAOYSA-N
XLogP2.54
TPSA82.56 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,3-dimethylpyrazol-4-yl)pyrazol-1-yl]-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide?
The IUPAC name of 2-[3-(1,3-dimethylpyrazol-4-yl)pyrazol-1-yl]-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide (CID 46999021) is 2-[3-(1,3-dimethylpyrazol-4-yl)pyrazol-1-yl]-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-[3-(1,3-dimethylpyrazol-4-yl)pyrazol-1-yl]-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide?
The canonical SMILES for 2-[3-(1,3-dimethylpyrazol-4-yl)pyrazol-1-yl]-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide is Cc1nn(C)cc1-c1ccn(CC(=O)Nc2ccnn2Cc2cccs2)n1.
What is the InChIKey of 2-[3-(1,3-dimethylpyrazol-4-yl)pyrazol-1-yl]-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide?
The InChIKey is CJCZMKDUWJUELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7OS/c1-13-15(11-23(2)21-13)16-6-8-24(22-16)12-18(26)20-17-5-7-19-25(17)10-14-4-3-9-27-14/h3-9,11H,10,12H2,1-2H3,(H,20,26).
What are the key properties of 2-[3-(1,3-dimethylpyrazol-4-yl)pyrazol-1-yl]-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide?
2-[3-(1,3-dimethylpyrazol-4-yl)pyrazol-1-yl]-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide has a molecular weight of 381.47 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,3-dimethylpyrazol-4-yl)pyrazol-1-yl]-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 46999021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).