[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methanone

C18H20N4OS — CID 56779288

IUPAC[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methanone
SMILESO=C(c1cccn1Cc1cccs1)N1CCCC1Cn1cccn1
InChIInChI=1S/C18H20N4OS/c23-18(17-7-2-9-20(17)14-16-6-3-12-24-16)22-11-1-5-15(22)13-21-10-4-8-19-21/h2-4,6-10,12,15H,1,5,11,13-14H2
InChIKeyJPXCNXFTVKEUOS-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.10
Rot. Bonds5

About [2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methanone

[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methanone (PubChem CID 56779288) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is [2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methanone.

Molecular Properties

Compound Name[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methanone
PubChem CID56779288
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC Name[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methanone
SMILESO=C(c1cccn1Cc1cccs1)N1CCCC1Cn1cccn1
InChIInChI=1S/C18H20N4OS/c23-18(17-7-2-9-20(17)14-16-6-3-12-24-16)22-11-1-5-15(22)13-21-10-4-8-19-21/h2-4,6-10,12,15H,1,5,11,13-14H2
InChIKeyJPXCNXFTVKEUOS-UHFFFAOYSA-N
XLogP3.10
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methanone?
The IUPAC name of [2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methanone (CID 56779288) is [2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methanone.
What is the SMILES notation for [2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methanone?
The canonical SMILES for [2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methanone is O=C(c1cccn1Cc1cccs1)N1CCCC1Cn1cccn1.
What is the InChIKey of [2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methanone?
The InChIKey is JPXCNXFTVKEUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c23-18(17-7-2-9-20(17)14-16-6-3-12-24-16)22-11-1-5-15(22)13-21-10-4-8-19-21/h2-4,6-10,12,15H,1,5,11,13-14H2.
What are the key properties of [2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methanone?
[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methanone has a molecular weight of 340.45 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methanone is sourced from PubChem (CID 56779288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).