(1-methylpyrazol-4-yl)-(2-methylthiophen-3-yl)methanone

C10H10N2OS — CID 102830803

IUPAC(1-methylpyrazol-4-yl)-(2-methylthiophen-3-yl)methanone
SMILESCc1sccc1C(=O)c1cnn(C)c1
InChIInChI=1S/C10H10N2OS/c1-7-9(3-4-14-7)10(13)8-5-11-12(2)6-8/h3-6H,1-2H3
InChIKeySLIJUUNFSYVTLT-UHFFFAOYSA-N
MW206.27 g/mol
LogP2.02
Rot. Bonds2

About (1-methylpyrazol-4-yl)-(2-methylthiophen-3-yl)methanone

(1-methylpyrazol-4-yl)-(2-methylthiophen-3-yl)methanone (PubChem CID 102830803) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is (1-methylpyrazol-4-yl)-(2-methylthiophen-3-yl)methanone.

Molecular Properties

Compound Name(1-methylpyrazol-4-yl)-(2-methylthiophen-3-yl)methanone
PubChem CID102830803
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC Name(1-methylpyrazol-4-yl)-(2-methylthiophen-3-yl)methanone
SMILESCc1sccc1C(=O)c1cnn(C)c1
InChIInChI=1S/C10H10N2OS/c1-7-9(3-4-14-7)10(13)8-5-11-12(2)6-8/h3-6H,1-2H3
InChIKeySLIJUUNFSYVTLT-UHFFFAOYSA-N
XLogP2.02
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzothiophen-7-yl-(1-methylpyrazol-4-yl)methanone
CID 81153366
(2-methylthiophen-3-yl)-pyridazin-4-ylmethanone
CID 102840057
bis(2-methylthiophen-3-yl)methanone
CID 101441488
(2-methylthiophen-3-yl)-(2-methyltriazol-4-yl)methanone
CID 130521494
(2,6-dimethyl-3-pyridinyl)-(1-methylpyrazol-4-yl)methanone
CID 105082299
5-methyl-4-(1-methylpyrazole-4-carbonyl)thiophene-2-carbaldehyde
CID 82389755
(1-methylpyrazol-4-yl)-thiophen-3-ylmethanone
CID 43463314
(2-fluoro-3-methylphenyl)-(1-methylpyrazol-4-yl)methanone
CID 114963984
(1-methylpyrazol-4-yl)-(5-methylthiophen-2-yl)methanone
CID 43463309
(2-bromo-5-methylphenyl)-(1-methylpyrazol-4-yl)methanone
CID 114963931
(5-bromo-2-methylphenyl)-(1-methylpyrazol-4-yl)methanone
CID 114963954
(2-ethylphenyl)-(1-methylpyrazol-4-yl)methanone
CID 114963914

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-4-yl)-(2-methylthiophen-3-yl)methanone?
The IUPAC name of (1-methylpyrazol-4-yl)-(2-methylthiophen-3-yl)methanone (CID 102830803) is (1-methylpyrazol-4-yl)-(2-methylthiophen-3-yl)methanone.
What is the SMILES notation for (1-methylpyrazol-4-yl)-(2-methylthiophen-3-yl)methanone?
The canonical SMILES for (1-methylpyrazol-4-yl)-(2-methylthiophen-3-yl)methanone is Cc1sccc1C(=O)c1cnn(C)c1.
What is the InChIKey of (1-methylpyrazol-4-yl)-(2-methylthiophen-3-yl)methanone?
The InChIKey is SLIJUUNFSYVTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS/c1-7-9(3-4-14-7)10(13)8-5-11-12(2)6-8/h3-6H,1-2H3.
What are the key properties of (1-methylpyrazol-4-yl)-(2-methylthiophen-3-yl)methanone?
(1-methylpyrazol-4-yl)-(2-methylthiophen-3-yl)methanone has a molecular weight of 206.27 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-4-yl)-(2-methylthiophen-3-yl)methanone is sourced from PubChem (CID 102830803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).