1,3,5-trimethyl-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]pyrazole-4-carboxamide

C16H19N5OS — CID 86266395

IUPAC1,3,5-trimethyl-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]pyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)NCCn1ccc(-c2ccsc2)n1
InChIInChI=1S/C16H19N5OS/c1-11-15(12(2)20(3)18-11)16(22)17-6-8-21-7-4-14(19-21)13-5-9-23-10-13/h4-5,7,9-10H,6,8H2,1-3H3,(H,17,22)
InChIKeyFFSRZLVANSBJCS-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.39
Rot. Bonds5

About 1,3,5-trimethyl-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]pyrazole-4-carboxamide

1,3,5-trimethyl-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]pyrazole-4-carboxamide (PubChem CID 86266395) has the molecular formula C16H19N5OS and a molecular weight of 329.43 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,3,5-trimethyl-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]pyrazole-4-carboxamide
PubChem CID86266395
Molecular FormulaC16H19N5OS
Molecular Weight329.43 g/mol
Exact Mass329.13
IUPAC Name1,3,5-trimethyl-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]pyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)NCCn1ccc(-c2ccsc2)n1
InChIInChI=1S/C16H19N5OS/c1-11-15(12(2)20(3)18-11)16(22)17-6-8-21-7-4-14(19-21)13-5-9-23-10-13/h4-5,7,9-10H,6,8H2,1-3H3,(H,17,22)
InChIKeyFFSRZLVANSBJCS-UHFFFAOYSA-N
XLogP2.39
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]pyrazole-4-carboxamide?
The IUPAC name of 1,3,5-trimethyl-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]pyrazole-4-carboxamide (CID 86266395) is 1,3,5-trimethyl-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1,3,5-trimethyl-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]pyrazole-4-carboxamide?
The canonical SMILES for 1,3,5-trimethyl-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]pyrazole-4-carboxamide is Cc1nn(C)c(C)c1C(=O)NCCn1ccc(-c2ccsc2)n1.
What is the InChIKey of 1,3,5-trimethyl-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]pyrazole-4-carboxamide?
The InChIKey is FFSRZLVANSBJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5OS/c1-11-15(12(2)20(3)18-11)16(22)17-6-8-21-7-4-14(19-21)13-5-9-23-10-13/h4-5,7,9-10H,6,8H2,1-3H3,(H,17,22).
What are the key properties of 1,3,5-trimethyl-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]pyrazole-4-carboxamide?
1,3,5-trimethyl-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]pyrazole-4-carboxamide has a molecular weight of 329.43 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 86266395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).