1-[5-(1-methyl-3-propan-2-ylpyrazol-4-yl)thiophen-2-yl]propan-1-one

C14H18N2OS — CID 114263175

IUPAC1-[5-(1-methyl-3-propan-2-ylpyrazol-4-yl)thiophen-2-yl]propan-1-one
SMILESCCC(=O)c1ccc(-c2cn(C)nc2C(C)C)s1
InChIInChI=1S/C14H18N2OS/c1-5-11(17)13-7-6-12(18-13)10-8-16(4)15-14(10)9(2)3/h6-9H,5H2,1-4H3
InChIKeyBGHMHTVCOFELLP-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.86
Rot. Bonds4

About 1-[5-(1-methyl-3-propan-2-ylpyrazol-4-yl)thiophen-2-yl]propan-1-one

1-[5-(1-methyl-3-propan-2-ylpyrazol-4-yl)thiophen-2-yl]propan-1-one (PubChem CID 114263175) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 1-[5-(1-methyl-3-propan-2-ylpyrazol-4-yl)thiophen-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[5-(1-methyl-3-propan-2-ylpyrazol-4-yl)thiophen-2-yl]propan-1-one
PubChem CID114263175
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name1-[5-(1-methyl-3-propan-2-ylpyrazol-4-yl)thiophen-2-yl]propan-1-one
SMILESCCC(=O)c1ccc(-c2cn(C)nc2C(C)C)s1
InChIInChI=1S/C14H18N2OS/c1-5-11(17)13-7-6-12(18-13)10-8-16(4)15-14(10)9(2)3/h6-9H,5H2,1-4H3
InChIKeyBGHMHTVCOFELLP-UHFFFAOYSA-N
XLogP3.86
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(1-methyl-3-propan-2-ylpyrazol-4-yl)phenyl]propan-1-one
CID 66008702
1-[4-(1-methyl-3-propan-2-ylpyrazol-4-yl)phenyl]ethanone
CID 66010362
1-[5-(2,5-dibromophenyl)thiophen-2-yl]propan-1-one
CID 63400906
1-[5-(2,3-difluorophenyl)thiophen-2-yl]propan-1-one
CID 61077384
1-[5-(5-chloro-2-fluorophenyl)thiophen-2-yl]propan-1-one
CID 43438621
1-[5-(3,5-dichlorophenyl)thiophen-2-yl]propan-1-one
CID 43363559
1-[5-(4-bromo-2,5-difluorophenyl)thiophen-2-yl]propan-1-one
CID 107615053
1-[5-(2-chloro-4-iodophenyl)thiophen-2-yl]propan-1-one
CID 107607464
3-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridine-2-carboxylic acid
CID 107525280
[6-(1-methyl-3-propan-2-ylpyrazol-4-yl)-2-pyridinyl] carbamate
CID 175000487
4-[4-(bromomethyl)phenyl]-1-methyl-3-propan-2-ylpyrazole
CID 165451622
1-(5-aminothiophen-2-yl)propan-1-one
CID 82372573

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-methyl-3-propan-2-ylpyrazol-4-yl)thiophen-2-yl]propan-1-one?
The IUPAC name of 1-[5-(1-methyl-3-propan-2-ylpyrazol-4-yl)thiophen-2-yl]propan-1-one (CID 114263175) is 1-[5-(1-methyl-3-propan-2-ylpyrazol-4-yl)thiophen-2-yl]propan-1-one.
What is the SMILES notation for 1-[5-(1-methyl-3-propan-2-ylpyrazol-4-yl)thiophen-2-yl]propan-1-one?
The canonical SMILES for 1-[5-(1-methyl-3-propan-2-ylpyrazol-4-yl)thiophen-2-yl]propan-1-one is CCC(=O)c1ccc(-c2cn(C)nc2C(C)C)s1.
What is the InChIKey of 1-[5-(1-methyl-3-propan-2-ylpyrazol-4-yl)thiophen-2-yl]propan-1-one?
The InChIKey is BGHMHTVCOFELLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-5-11(17)13-7-6-12(18-13)10-8-16(4)15-14(10)9(2)3/h6-9H,5H2,1-4H3.
What are the key properties of 1-[5-(1-methyl-3-propan-2-ylpyrazol-4-yl)thiophen-2-yl]propan-1-one?
1-[5-(1-methyl-3-propan-2-ylpyrazol-4-yl)thiophen-2-yl]propan-1-one has a molecular weight of 262.38 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-methyl-3-propan-2-ylpyrazol-4-yl)thiophen-2-yl]propan-1-one is sourced from PubChem (CID 114263175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).