2-amino-2-(1-methylpyrazol-4-yl)-1-(3-methylthiophen-2-yl)ethanone

C11H13N3OS — CID 116604855

IUPAC2-amino-2-(1-methylpyrazol-4-yl)-1-(3-methylthiophen-2-yl)ethanone
SMILESCc1ccsc1C(=O)C(N)c1cnn(C)c1
InChIInChI=1S/C11H13N3OS/c1-7-3-4-16-11(7)10(15)9(12)8-5-13-14(2)6-8/h3-6,9H,12H2,1-2H3
InChIKeyRTQFACDDUJOOON-UHFFFAOYSA-N
MW235.31 g/mol
LogP1.67
Rot. Bonds3

About 2-amino-2-(1-methylpyrazol-4-yl)-1-(3-methylthiophen-2-yl)ethanone

2-amino-2-(1-methylpyrazol-4-yl)-1-(3-methylthiophen-2-yl)ethanone (PubChem CID 116604855) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 2-amino-2-(1-methylpyrazol-4-yl)-1-(3-methylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-amino-2-(1-methylpyrazol-4-yl)-1-(3-methylthiophen-2-yl)ethanone
PubChem CID116604855
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name2-amino-2-(1-methylpyrazol-4-yl)-1-(3-methylthiophen-2-yl)ethanone
SMILESCc1ccsc1C(=O)C(N)c1cnn(C)c1
InChIInChI=1S/C11H13N3OS/c1-7-3-4-16-11(7)10(15)9(12)8-5-13-14(2)6-8/h3-6,9H,12H2,1-2H3
InChIKeyRTQFACDDUJOOON-UHFFFAOYSA-N
XLogP1.67
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-1-(1-benzothiophen-7-yl)-2-(1-methylpyrazol-4-yl)ethanone
CID 116604897
2-amino-1-(3-methylphenyl)-2-(1-methylpyrazol-4-yl)ethanone
CID 116604908
2-amino-1-(4-tert-butylphenyl)-2-(1-methylpyrazol-4-yl)ethanone
CID 116605016
propan-2-yl 2-amino-2-(1-methylpyrazol-4-yl)acetate
CID 115288979
2-amino-N-ethyl-N-(2-methylphenyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115289599
2-amino-N-(2,5-dimethylphenyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115289607
2-amino-1-(4-cyclopropyloxyphenyl)-2-(1-methylpyrazol-4-yl)ethanone
CID 114520707
2-amino-N-[(1S)-1-(2-methylphenyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115291040
2-amino-1-cyclobutyl-2-(1-methylpyrazol-4-yl)ethanone
CID 116605038
2-amino-1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-2-(1-methylpyrazol-4-yl)ethanone
CID 107220716
2-amino-1-(1-methylpyrazol-4-yl)-2-phenylethanone
CID 116551131
2-amino-N-[(1R)-1-(4-methylphenyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115291021

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(1-methylpyrazol-4-yl)-1-(3-methylthiophen-2-yl)ethanone?
The IUPAC name of 2-amino-2-(1-methylpyrazol-4-yl)-1-(3-methylthiophen-2-yl)ethanone (CID 116604855) is 2-amino-2-(1-methylpyrazol-4-yl)-1-(3-methylthiophen-2-yl)ethanone.
What is the SMILES notation for 2-amino-2-(1-methylpyrazol-4-yl)-1-(3-methylthiophen-2-yl)ethanone?
The canonical SMILES for 2-amino-2-(1-methylpyrazol-4-yl)-1-(3-methylthiophen-2-yl)ethanone is Cc1ccsc1C(=O)C(N)c1cnn(C)c1.
What is the InChIKey of 2-amino-2-(1-methylpyrazol-4-yl)-1-(3-methylthiophen-2-yl)ethanone?
The InChIKey is RTQFACDDUJOOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-7-3-4-16-11(7)10(15)9(12)8-5-13-14(2)6-8/h3-6,9H,12H2,1-2H3.
What are the key properties of 2-amino-2-(1-methylpyrazol-4-yl)-1-(3-methylthiophen-2-yl)ethanone?
2-amino-2-(1-methylpyrazol-4-yl)-1-(3-methylthiophen-2-yl)ethanone has a molecular weight of 235.31 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(1-methylpyrazol-4-yl)-1-(3-methylthiophen-2-yl)ethanone is sourced from PubChem (CID 116604855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).