(1-methylpyrrol-2-yl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone

C17H19N5OS — CID 91887736

IUPAC(1-methylpyrrol-2-yl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone
SMILESCn1cccc1C(=O)N1CCN(c2cc(-c3cccs3)[nH]n2)CC1
InChIInChI=1S/C17H19N5OS/c1-20-6-2-4-14(20)17(23)22-9-7-21(8-10-22)16-12-13(18-19-16)15-5-3-11-24-15/h2-6,11-12H,7-10H2,1H3,(H,18,19)
InChIKeyBMEOPTYOPNPARP-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.44
Rot. Bonds3

About (1-methylpyrrol-2-yl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone

(1-methylpyrrol-2-yl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone (PubChem CID 91887736) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is (1-methylpyrrol-2-yl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylpyrrol-2-yl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone
PubChem CID91887736
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC Name(1-methylpyrrol-2-yl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone
SMILESCn1cccc1C(=O)N1CCN(c2cc(-c3cccs3)[nH]n2)CC1
InChIInChI=1S/C17H19N5OS/c1-20-6-2-4-14(20)17(23)22-9-7-21(8-10-22)16-12-13(18-19-16)15-5-3-11-24-15/h2-6,11-12H,7-10H2,1H3,(H,18,19)
InChIKeyBMEOPTYOPNPARP-UHFFFAOYSA-N
XLogP2.44
TPSA57.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3,5-dimethoxyphenyl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone
CID 75527381
[4-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 100627053
(4-methoxy-2-methylphenyl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone
CID 75527408
(4-chloro-2-methoxyphenyl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone
CID 75527424
2-(4-ethoxyphenyl)-1-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]ethanone
CID 75528053
[4-(2-methylphenyl)piperazin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone
CID 46856970
(5-thiophen-2-yl-1H-pyrazol-3-yl)-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 90626568
[4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-1,4-diazepan-1-yl]-thiophen-2-ylmethanone
CID 91887606
(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121146094
[4-(4-hydroxyphenyl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 112763018
(1-methylpyrrol-2-yl)-[4-(thieno[3,2-b]thiophene-5-carbonyl)-1,4-diazepan-1-yl]methanone
CID 24735274
[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone
CID 70848747

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrrol-2-yl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone?
The IUPAC name of (1-methylpyrrol-2-yl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone (CID 91887736) is (1-methylpyrrol-2-yl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (1-methylpyrrol-2-yl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for (1-methylpyrrol-2-yl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone is Cn1cccc1C(=O)N1CCN(c2cc(-c3cccs3)[nH]n2)CC1.
What is the InChIKey of (1-methylpyrrol-2-yl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone?
The InChIKey is BMEOPTYOPNPARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS/c1-20-6-2-4-14(20)17(23)22-9-7-21(8-10-22)16-12-13(18-19-16)15-5-3-11-24-15/h2-6,11-12H,7-10H2,1H3,(H,18,19).
What are the key properties of (1-methylpyrrol-2-yl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone?
(1-methylpyrrol-2-yl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone has a molecular weight of 341.44 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrrol-2-yl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 91887736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).