N-(2-methylpyrazol-3-yl)-2-[4-[5-(piperazin-1-ylmethyl)thiophen-3-yl]pyrazol-1-yl]acetamide

C18H23N7OS — CID 31053670

IUPACN-(2-methylpyrazol-3-yl)-2-[4-[5-(piperazin-1-ylmethyl)thiophen-3-yl]pyrazol-1-yl]acetamide
SMILESCn1nccc1NC(=O)Cn1cc(-c2csc(CN3CCNCC3)c2)cn1
InChIInChI=1S/C18H23N7OS/c1-23-17(2-3-20-23)22-18(26)12-25-10-15(9-21-25)14-8-16(27-13-14)11-24-6-4-19-5-7-24/h2-3,8-10,13,19H,4-7,11-12H2,1H3,(H,22,26)
InChIKeyNLIBEATZDXHEQW-UHFFFAOYSA-N
MW385.50 g/mol
LogP1.39
Rot. Bonds6

About N-(2-methylpyrazol-3-yl)-2-[4-[5-(piperazin-1-ylmethyl)thiophen-3-yl]pyrazol-1-yl]acetamide

N-(2-methylpyrazol-3-yl)-2-[4-[5-(piperazin-1-ylmethyl)thiophen-3-yl]pyrazol-1-yl]acetamide (PubChem CID 31053670) has the molecular formula C18H23N7OS and a molecular weight of 385.50 g/mol. Its IUPAC name is N-(2-methylpyrazol-3-yl)-2-[4-[5-(piperazin-1-ylmethyl)thiophen-3-yl]pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methylpyrazol-3-yl)-2-[4-[5-(piperazin-1-ylmethyl)thiophen-3-yl]pyrazol-1-yl]acetamide
PubChem CID31053670
Molecular FormulaC18H23N7OS
Molecular Weight385.50 g/mol
Exact Mass385.17
IUPAC NameN-(2-methylpyrazol-3-yl)-2-[4-[5-(piperazin-1-ylmethyl)thiophen-3-yl]pyrazol-1-yl]acetamide
SMILESCn1nccc1NC(=O)Cn1cc(-c2csc(CN3CCNCC3)c2)cn1
InChIInChI=1S/C18H23N7OS/c1-23-17(2-3-20-23)22-18(26)12-25-10-15(9-21-25)14-8-16(27-13-14)11-24-6-4-19-5-7-24/h2-3,8-10,13,19H,4-7,11-12H2,1H3,(H,22,26)
InChIKeyNLIBEATZDXHEQW-UHFFFAOYSA-N
XLogP1.39
TPSA80.01 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.50
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpyrazol-3-yl)-2-[4-[5-(piperazin-1-ylmethyl)thiophen-3-yl]pyrazol-1-yl]acetamide?
The IUPAC name of N-(2-methylpyrazol-3-yl)-2-[4-[5-(piperazin-1-ylmethyl)thiophen-3-yl]pyrazol-1-yl]acetamide (CID 31053670) is N-(2-methylpyrazol-3-yl)-2-[4-[5-(piperazin-1-ylmethyl)thiophen-3-yl]pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(2-methylpyrazol-3-yl)-2-[4-[5-(piperazin-1-ylmethyl)thiophen-3-yl]pyrazol-1-yl]acetamide?
The canonical SMILES for N-(2-methylpyrazol-3-yl)-2-[4-[5-(piperazin-1-ylmethyl)thiophen-3-yl]pyrazol-1-yl]acetamide is Cn1nccc1NC(=O)Cn1cc(-c2csc(CN3CCNCC3)c2)cn1.
What is the InChIKey of N-(2-methylpyrazol-3-yl)-2-[4-[5-(piperazin-1-ylmethyl)thiophen-3-yl]pyrazol-1-yl]acetamide?
The InChIKey is NLIBEATZDXHEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7OS/c1-23-17(2-3-20-23)22-18(26)12-25-10-15(9-21-25)14-8-16(27-13-14)11-24-6-4-19-5-7-24/h2-3,8-10,13,19H,4-7,11-12H2,1H3,(H,22,26).
What are the key properties of N-(2-methylpyrazol-3-yl)-2-[4-[5-(piperazin-1-ylmethyl)thiophen-3-yl]pyrazol-1-yl]acetamide?
N-(2-methylpyrazol-3-yl)-2-[4-[5-(piperazin-1-ylmethyl)thiophen-3-yl]pyrazol-1-yl]acetamide has a molecular weight of 385.50 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpyrazol-3-yl)-2-[4-[5-(piperazin-1-ylmethyl)thiophen-3-yl]pyrazol-1-yl]acetamide is sourced from PubChem (CID 31053670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).