(2,5-dimethylthiophen-3-yl)-(1H-pyrazol-4-yl)methanone

C10H10N2OS — CID 114989358

IUPAC(2,5-dimethylthiophen-3-yl)-(1H-pyrazol-4-yl)methanone
SMILESCc1cc(C(=O)c2cn[nH]c2)c(C)s1
InChIInChI=1S/C10H10N2OS/c1-6-3-9(7(2)14-6)10(13)8-4-11-12-5-8/h3-5H,1-2H3,(H,11,12)
InChIKeyNNFOGYYUZAKIML-UHFFFAOYSA-N
MW206.27 g/mol
LogP2.32
Rot. Bonds2

About (2,5-dimethylthiophen-3-yl)-(1H-pyrazol-4-yl)methanone

(2,5-dimethylthiophen-3-yl)-(1H-pyrazol-4-yl)methanone (PubChem CID 114989358) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is (2,5-dimethylthiophen-3-yl)-(1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name(2,5-dimethylthiophen-3-yl)-(1H-pyrazol-4-yl)methanone
PubChem CID114989358
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC Name(2,5-dimethylthiophen-3-yl)-(1H-pyrazol-4-yl)methanone
SMILESCc1cc(C(=O)c2cn[nH]c2)c(C)s1
InChIInChI=1S/C10H10N2OS/c1-6-3-9(7(2)14-6)10(13)8-4-11-12-5-8/h3-5H,1-2H3,(H,11,12)
InChIKeyNNFOGYYUZAKIML-UHFFFAOYSA-N
XLogP2.32
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylthiophen-3-yl)-(1H-pyrazol-4-yl)methanone?
The IUPAC name of (2,5-dimethylthiophen-3-yl)-(1H-pyrazol-4-yl)methanone (CID 114989358) is (2,5-dimethylthiophen-3-yl)-(1H-pyrazol-4-yl)methanone.
What is the SMILES notation for (2,5-dimethylthiophen-3-yl)-(1H-pyrazol-4-yl)methanone?
The canonical SMILES for (2,5-dimethylthiophen-3-yl)-(1H-pyrazol-4-yl)methanone is Cc1cc(C(=O)c2cn[nH]c2)c(C)s1.
What is the InChIKey of (2,5-dimethylthiophen-3-yl)-(1H-pyrazol-4-yl)methanone?
The InChIKey is NNFOGYYUZAKIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS/c1-6-3-9(7(2)14-6)10(13)8-4-11-12-5-8/h3-5H,1-2H3,(H,11,12).
What are the key properties of (2,5-dimethylthiophen-3-yl)-(1H-pyrazol-4-yl)methanone?
(2,5-dimethylthiophen-3-yl)-(1H-pyrazol-4-yl)methanone has a molecular weight of 206.27 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylthiophen-3-yl)-(1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 114989358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).