[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-[4-(2-pyrrol-1-ylethyl)piperazin-1-yl]methanone

C19H23N5OS — CID 70777109

IUPAC[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-[4-(2-pyrrol-1-ylethyl)piperazin-1-yl]methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCN(CCn4cccc4)CC3)n[nH]2)s1
InChIInChI=1S/C19H23N5OS/c1-15-4-5-18(26-15)16-14-17(21-20-16)19(25)24-12-10-23(11-13-24)9-8-22-6-2-3-7-22/h2-7,14H,8-13H2,1H3,(H,20,21)
InChIKeyGQSSGSNYQBXNCX-UHFFFAOYSA-N
MW369.49 g/mol
LogP2.71
Rot. Bonds5

About [5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-[4-(2-pyrrol-1-ylethyl)piperazin-1-yl]methanone

[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-[4-(2-pyrrol-1-ylethyl)piperazin-1-yl]methanone (PubChem CID 70777109) has the molecular formula C19H23N5OS and a molecular weight of 369.49 g/mol. Its IUPAC name is [5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-[4-(2-pyrrol-1-ylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-[4-(2-pyrrol-1-ylethyl)piperazin-1-yl]methanone
PubChem CID70777109
Molecular FormulaC19H23N5OS
Molecular Weight369.49 g/mol
Exact Mass369.16
IUPAC Name[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-[4-(2-pyrrol-1-ylethyl)piperazin-1-yl]methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCN(CCn4cccc4)CC3)n[nH]2)s1
InChIInChI=1S/C19H23N5OS/c1-15-4-5-18(26-15)16-14-17(21-20-16)19(25)24-12-10-23(11-13-24)9-8-22-6-2-3-7-22/h2-7,14H,8-13H2,1H3,(H,20,21)
InChIKeyGQSSGSNYQBXNCX-UHFFFAOYSA-N
XLogP2.71
TPSA57.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(azepan-1-yl)-2-[4-[5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]ethanone
CID 25348298
[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone
CID 30836006
[5-(5-bromothiophen-2-yl)-1H-pyrazol-3-yl]-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone
CID 71700586
(2R)-1-[5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carbonyl]azetidine-2-carboxylic acid
CID 97284605
1-[5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carbonyl]azetidine-2-carboxylic acid
CID 72929172
(5R)-3-methyl-9-[5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carbonyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95725668
[(3R)-3-methylmorpholin-4-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone
CID 37192686
(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone
CID 70715252
[1-ethyl-3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone
CID 26231537
[2-(1-hydroxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone
CID 90654028
[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone
CID 70729636
[(2S)-2-(1-methylpyrazol-3-yl)piperidin-1-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone
CID 97123063

Frequently Asked Questions

What is the IUPAC name of [5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-[4-(2-pyrrol-1-ylethyl)piperazin-1-yl]methanone?
The IUPAC name of [5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-[4-(2-pyrrol-1-ylethyl)piperazin-1-yl]methanone (CID 70777109) is [5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-[4-(2-pyrrol-1-ylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-[4-(2-pyrrol-1-ylethyl)piperazin-1-yl]methanone?
The canonical SMILES for [5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-[4-(2-pyrrol-1-ylethyl)piperazin-1-yl]methanone is Cc1ccc(-c2cc(C(=O)N3CCN(CCn4cccc4)CC3)n[nH]2)s1.
What is the InChIKey of [5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-[4-(2-pyrrol-1-ylethyl)piperazin-1-yl]methanone?
The InChIKey is GQSSGSNYQBXNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5OS/c1-15-4-5-18(26-15)16-14-17(21-20-16)19(25)24-12-10-23(11-13-24)9-8-22-6-2-3-7-22/h2-7,14H,8-13H2,1H3,(H,20,21).
What are the key properties of [5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-[4-(2-pyrrol-1-ylethyl)piperazin-1-yl]methanone?
[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-[4-(2-pyrrol-1-ylethyl)piperazin-1-yl]methanone has a molecular weight of 369.49 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-[4-(2-pyrrol-1-ylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 70777109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).