1-[2,4-dimethyl-5-(1-propan-2-ylpyrazol-3-yl)thiophen-3-yl]-2-hydroxyethanone

C14H18N2O2S — CID 170126687

IUPAC1-[2,4-dimethyl-5-(1-propan-2-ylpyrazol-3-yl)thiophen-3-yl]-2-hydroxyethanone
SMILESCc1sc(-c2ccn(C(C)C)n2)c(C)c1C(=O)CO
InChIInChI=1S/C14H18N2O2S/c1-8(2)16-6-5-11(15-16)14-9(3)13(10(4)19-14)12(18)7-17/h5-6,8,17H,7H2,1-4H3
InChIKeyMKDFJSABWNGKEY-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.98
Rot. Bonds4

About 1-[2,4-dimethyl-5-(1-propan-2-ylpyrazol-3-yl)thiophen-3-yl]-2-hydroxyethanone

1-[2,4-dimethyl-5-(1-propan-2-ylpyrazol-3-yl)thiophen-3-yl]-2-hydroxyethanone (PubChem CID 170126687) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 1-[2,4-dimethyl-5-(1-propan-2-ylpyrazol-3-yl)thiophen-3-yl]-2-hydroxyethanone.

Molecular Properties

Compound Name1-[2,4-dimethyl-5-(1-propan-2-ylpyrazol-3-yl)thiophen-3-yl]-2-hydroxyethanone
PubChem CID170126687
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name1-[2,4-dimethyl-5-(1-propan-2-ylpyrazol-3-yl)thiophen-3-yl]-2-hydroxyethanone
SMILESCc1sc(-c2ccn(C(C)C)n2)c(C)c1C(=O)CO
InChIInChI=1S/C14H18N2O2S/c1-8(2)16-6-5-11(15-16)14-9(3)13(10(4)19-14)12(18)7-17/h5-6,8,17H,7H2,1-4H3
InChIKeyMKDFJSABWNGKEY-UHFFFAOYSA-N
XLogP2.98
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,4-dimethyl-1,3-thiazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 114033636
ethane;ethyl 2-amino-4-phenyl-5-(1-propan-2-ylpyrazol-3-yl)thiophene-3-carboxylate
CID 164601237
3-methyl-4-(1-propan-2-ylpyrazol-3-yl)butan-2-ol
CID 64772656
2-bromo-1-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 146407940
(1-propan-2-ylpyrazol-3-yl)methyl 4-amino-5-methylthiophene-2-carboxylate
CID 64772473
methyl 2-[[5-(1-propan-2-ylpyrazol-3-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
CID 23007127
ethane;5-methyl-6-(1-propan-2-ylpyrazol-3-yl)-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 164585227
methyl 1-amino-3-methyl-4-(1-propan-2-ylpyrazol-3-yl)pyrrole-2-carboxylate
CID 169237423
3-[5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)thieno[2,3-d]pyrimidin-4-yl]oxypropanal
CID 171433984
1-(4-methyl-3-pyridinyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 114877690
3-[(1-propan-2-ylpyrazol-3-yl)methylsulfonyl]butanoic acid
CID 66113467
1-(3,5-difluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 64771713

Frequently Asked Questions

What is the IUPAC name of 1-[2,4-dimethyl-5-(1-propan-2-ylpyrazol-3-yl)thiophen-3-yl]-2-hydroxyethanone?
The IUPAC name of 1-[2,4-dimethyl-5-(1-propan-2-ylpyrazol-3-yl)thiophen-3-yl]-2-hydroxyethanone (CID 170126687) is 1-[2,4-dimethyl-5-(1-propan-2-ylpyrazol-3-yl)thiophen-3-yl]-2-hydroxyethanone.
What is the SMILES notation for 1-[2,4-dimethyl-5-(1-propan-2-ylpyrazol-3-yl)thiophen-3-yl]-2-hydroxyethanone?
The canonical SMILES for 1-[2,4-dimethyl-5-(1-propan-2-ylpyrazol-3-yl)thiophen-3-yl]-2-hydroxyethanone is Cc1sc(-c2ccn(C(C)C)n2)c(C)c1C(=O)CO.
What is the InChIKey of 1-[2,4-dimethyl-5-(1-propan-2-ylpyrazol-3-yl)thiophen-3-yl]-2-hydroxyethanone?
The InChIKey is MKDFJSABWNGKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-8(2)16-6-5-11(15-16)14-9(3)13(10(4)19-14)12(18)7-17/h5-6,8,17H,7H2,1-4H3.
What are the key properties of 1-[2,4-dimethyl-5-(1-propan-2-ylpyrazol-3-yl)thiophen-3-yl]-2-hydroxyethanone?
1-[2,4-dimethyl-5-(1-propan-2-ylpyrazol-3-yl)thiophen-3-yl]-2-hydroxyethanone has a molecular weight of 278.38 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-dimethyl-5-(1-propan-2-ylpyrazol-3-yl)thiophen-3-yl]-2-hydroxyethanone is sourced from PubChem (CID 170126687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).