(5-methyl-1-phenylpyrazol-4-yl)-(1,3-thiazolidin-3-yl)methanone

C14H15N3OS — CID 122332028

IUPAC(5-methyl-1-phenylpyrazol-4-yl)-(1,3-thiazolidin-3-yl)methanone
SMILESCc1c(C(=O)N2CCSC2)cnn1-c1ccccc1
InChIInChI=1S/C14H15N3OS/c1-11-13(14(18)16-7-8-19-10-16)9-15-17(11)12-5-3-2-4-6-12/h2-6,9H,7-8,10H2,1H3
InChIKeyWTBAKROKTPNYIY-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.33
Rot. Bonds2

About (5-methyl-1-phenylpyrazol-4-yl)-(1,3-thiazolidin-3-yl)methanone

(5-methyl-1-phenylpyrazol-4-yl)-(1,3-thiazolidin-3-yl)methanone (PubChem CID 122332028) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is (5-methyl-1-phenylpyrazol-4-yl)-(1,3-thiazolidin-3-yl)methanone.

Molecular Properties

Compound Name(5-methyl-1-phenylpyrazol-4-yl)-(1,3-thiazolidin-3-yl)methanone
PubChem CID122332028
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name(5-methyl-1-phenylpyrazol-4-yl)-(1,3-thiazolidin-3-yl)methanone
SMILESCc1c(C(=O)N2CCSC2)cnn1-c1ccccc1
InChIInChI=1S/C14H15N3OS/c1-11-13(14(18)16-7-8-19-10-16)9-15-17(11)12-5-3-2-4-6-12/h2-6,9H,7-8,10H2,1H3
InChIKeyWTBAKROKTPNYIY-UHFFFAOYSA-N
XLogP2.33
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-methyl-1-phenylpyrazol-4-yl)-[(7R)-7-phenyl-1,4-thiazepan-4-yl]methanone
CID 99903755
[4-(4-fluorophenyl)piperazin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 90602016
[(3R)-3-aminopyrrolidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 119412099
2,3-dihydro-1,4-benzothiazin-4-yl-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 78828966
(3-methoxypyrrolidin-1-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 108730568
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 120816830
(5-methyl-1-phenylpyrazol-4-yl)-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122339713
(5-methyl-1-phenylpyrazol-4-yl)-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone
CID 33180759
(4-benzyl-1,4-diazepan-1-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 46422149
N-[1-(5-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]benzamide
CID 34424786
[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 37209594
N-hydroxy-2-(5-methyl-1-phenylpyrazole-4-carbonyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide
CID 58465642

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1-phenylpyrazol-4-yl)-(1,3-thiazolidin-3-yl)methanone?
The IUPAC name of (5-methyl-1-phenylpyrazol-4-yl)-(1,3-thiazolidin-3-yl)methanone (CID 122332028) is (5-methyl-1-phenylpyrazol-4-yl)-(1,3-thiazolidin-3-yl)methanone.
What is the SMILES notation for (5-methyl-1-phenylpyrazol-4-yl)-(1,3-thiazolidin-3-yl)methanone?
The canonical SMILES for (5-methyl-1-phenylpyrazol-4-yl)-(1,3-thiazolidin-3-yl)methanone is Cc1c(C(=O)N2CCSC2)cnn1-c1ccccc1.
What is the InChIKey of (5-methyl-1-phenylpyrazol-4-yl)-(1,3-thiazolidin-3-yl)methanone?
The InChIKey is WTBAKROKTPNYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-11-13(14(18)16-7-8-19-10-16)9-15-17(11)12-5-3-2-4-6-12/h2-6,9H,7-8,10H2,1H3.
What are the key properties of (5-methyl-1-phenylpyrazol-4-yl)-(1,3-thiazolidin-3-yl)methanone?
(5-methyl-1-phenylpyrazol-4-yl)-(1,3-thiazolidin-3-yl)methanone has a molecular weight of 273.36 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1-phenylpyrazol-4-yl)-(1,3-thiazolidin-3-yl)methanone is sourced from PubChem (CID 122332028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).