2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide

C17H23N5O2S — CID 42285750

IUPAC2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1cc(C(=O)N2CCN(C)CC2)nn1CC(=O)NCc1cccs1
InChIInChI=1S/C17H23N5O2S/c1-13-10-15(17(24)21-7-5-20(2)6-8-21)19-22(13)12-16(23)18-11-14-4-3-9-25-14/h3-4,9-10H,5-8,11-12H2,1-2H3,(H,18,23)
InChIKeyGMAAMQOPRHQOGC-UHFFFAOYSA-N
MW361.47 g/mol
LogP0.96
Rot. Bonds5

About 2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide

2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 42285750) has the molecular formula C17H23N5O2S and a molecular weight of 361.47 g/mol. Its IUPAC name is 2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID42285750
Molecular FormulaC17H23N5O2S
Molecular Weight361.47 g/mol
Exact Mass361.16
IUPAC Name2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1cc(C(=O)N2CCN(C)CC2)nn1CC(=O)NCc1cccs1
InChIInChI=1S/C17H23N5O2S/c1-13-10-15(17(24)21-7-5-20(2)6-8-21)19-22(13)12-16(23)18-11-14-4-3-9-25-14/h3-4,9-10H,5-8,11-12H2,1-2H3,(H,18,23)
InChIKeyGMAAMQOPRHQOGC-UHFFFAOYSA-N
XLogP0.96
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide (CID 42285750) is 2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide is Cc1cc(C(=O)N2CCN(C)CC2)nn1CC(=O)NCc1cccs1.
What is the InChIKey of 2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is GMAAMQOPRHQOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2S/c1-13-10-15(17(24)21-7-5-20(2)6-8-21)19-22(13)12-16(23)18-11-14-4-3-9-25-14/h3-4,9-10H,5-8,11-12H2,1-2H3,(H,18,23).
What are the key properties of 2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 361.47 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 42285750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).