N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]-2-pyrrolidin-1-ylpropanamide

C20H24N6OS — CID 110238846

IUPACN-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]-2-pyrrolidin-1-ylpropanamide
SMILESCC(C(=O)NCCn1ncc(-c2cnccn2)c1-c1cccs1)N1CCCC1
InChIInChI=1S/C20H24N6OS/c1-15(25-9-2-3-10-25)20(27)23-8-11-26-19(18-5-4-12-28-18)16(13-24-26)17-14-21-6-7-22-17/h4-7,12-15H,2-3,8-11H2,1H3,(H,23,27)
InChIKeyACZNJOWTDHNDEX-UHFFFAOYSA-N
MW396.52 g/mol
LogP2.67
Rot. Bonds7

About N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]-2-pyrrolidin-1-ylpropanamide

N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]-2-pyrrolidin-1-ylpropanamide (PubChem CID 110238846) has the molecular formula C20H24N6OS and a molecular weight of 396.52 g/mol. Its IUPAC name is N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]-2-pyrrolidin-1-ylpropanamide.

Molecular Properties

Compound NameN-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]-2-pyrrolidin-1-ylpropanamide
PubChem CID110238846
Molecular FormulaC20H24N6OS
Molecular Weight396.52 g/mol
Exact Mass396.17
IUPAC NameN-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]-2-pyrrolidin-1-ylpropanamide
SMILESCC(C(=O)NCCn1ncc(-c2cnccn2)c1-c1cccs1)N1CCCC1
InChIInChI=1S/C20H24N6OS/c1-15(25-9-2-3-10-25)20(27)23-8-11-26-19(18-5-4-12-28-18)16(13-24-26)17-14-21-6-7-22-17/h4-7,12-15H,2-3,8-11H2,1H3,(H,23,27)
InChIKeyACZNJOWTDHNDEX-UHFFFAOYSA-N
XLogP2.67
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[2-[[ethyl-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]sulfamoyl]amino]ethyl]-5-thiophen-2-yl-1H-pyrazol-3-yl]pyrazine
CID 53358320
2-[4-[2-[[ethyl-[(3R)-1-(2-phenylpropan-2-yl)pyrrolidin-3-yl]sulfamoyl]amino]ethyl]-5-thiophen-2-yl-1H-pyrazol-3-yl]pyrazine
CID 53358321
2-[4-[2-[[[(3R)-1-benzylpyrrolidin-3-yl]-methylsulfamoyl]amino]ethyl]-5-thiophen-2-yl-1H-pyrazol-3-yl]pyrazine
CID 56666644
2-[4-[2-[[ethyl-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]sulfamoyl]amino]ethyl]-5-thiophen-2-yl-1H-pyrazol-3-yl]pyrazine
CID 56670055
US9586948, Example 22
CID 117872182
N,N-dimethyl-2-[6-(4-methylthiophen-2-yl)pyrrolo[3,2-b]pyridin-1-yl]acetamide
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CID 156027217
N-{[3-(2,5-dimethyl-3-thienyl)-1-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl}-2-pyrazin-2-ylethanamine
CID 16190616
3-(1-Phenyl-3-thiophen-2-ylpyrazol-4-yl)-1-(4-pyridin-4-ylpiperazin-1-yl)prop-2-en-1-one
CID 44522263
N-[5-[4-(1H-pyrazol-4-yl)thiophen-2-yl]-3-pyridinyl]cyclopropanecarboxamide
CID 145979136
N-[5-[4-(1-ethylpyrazol-4-yl)thiophen-2-yl]-3-pyridinyl]cyclopropanecarboxamide
CID 145981774
N-[5-[4-(1-methylpyrazol-4-yl)thiophen-2-yl]-3-pyridinyl]cyclopropanecarboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]-2-pyrrolidin-1-ylpropanamide?
The IUPAC name of N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]-2-pyrrolidin-1-ylpropanamide (CID 110238846) is N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]-2-pyrrolidin-1-ylpropanamide.
What is the SMILES notation for N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]-2-pyrrolidin-1-ylpropanamide?
The canonical SMILES for N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]-2-pyrrolidin-1-ylpropanamide is CC(C(=O)NCCn1ncc(-c2cnccn2)c1-c1cccs1)N1CCCC1.
What is the InChIKey of N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]-2-pyrrolidin-1-ylpropanamide?
The InChIKey is ACZNJOWTDHNDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6OS/c1-15(25-9-2-3-10-25)20(27)23-8-11-26-19(18-5-4-12-28-18)16(13-24-26)17-14-21-6-7-22-17/h4-7,12-15H,2-3,8-11H2,1H3,(H,23,27).
What are the key properties of N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]-2-pyrrolidin-1-ylpropanamide?
N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]-2-pyrrolidin-1-ylpropanamide has a molecular weight of 396.52 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]-2-pyrrolidin-1-ylpropanamide is sourced from PubChem (CID 110238846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).