(5-chlorothiophen-2-yl)-(2-methylpyrazol-3-yl)methanone

C9H7ClN2OS — CID 114972633

IUPAC(5-chlorothiophen-2-yl)-(2-methylpyrazol-3-yl)methanone
SMILESCn1nccc1C(=O)c1ccc(Cl)s1
InChIInChI=1S/C9H7ClN2OS/c1-12-6(4-5-11-12)9(13)7-2-3-8(10)14-7/h2-5H,1H3
InChIKeyWIHYXXRXTKLAQR-UHFFFAOYSA-N
MW226.69 g/mol
LogP2.37
Rot. Bonds2

About (5-chlorothiophen-2-yl)-(2-methylpyrazol-3-yl)methanone

(5-chlorothiophen-2-yl)-(2-methylpyrazol-3-yl)methanone (PubChem CID 114972633) has the molecular formula C9H7ClN2OS and a molecular weight of 226.69 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-(2-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-(2-methylpyrazol-3-yl)methanone
PubChem CID114972633
Molecular FormulaC9H7ClN2OS
Molecular Weight226.69 g/mol
Exact Mass226.00
IUPAC Name(5-chlorothiophen-2-yl)-(2-methylpyrazol-3-yl)methanone
SMILESCn1nccc1C(=O)c1ccc(Cl)s1
InChIInChI=1S/C9H7ClN2OS/c1-12-6(4-5-11-12)9(13)7-2-3-8(10)14-7/h2-5H,1H3
InChIKeyWIHYXXRXTKLAQR-UHFFFAOYSA-N
XLogP2.37
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.69
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-chlorothiophen-2-yl)-(1,3-dimethylpyrazol-4-yl)methanone
CID 102802864
(2-methylpyrazol-3-yl)-pyrimidin-2-ylmethanone
CID 63960953
(5-chlorothiophen-2-yl)-(3-propyltriazol-4-yl)methanone
CID 115802433
(2-methylpyrazol-3-yl)-(1,2,5-thiadiazol-3-yl)methanone
CID 105100351
(3-bromo-5-chlorophenyl)-(2-methylpyrazol-3-yl)methanone
CID 107944480
(2-methylpyrazol-3-yl)-(4-methylthiadiazol-5-yl)methanone
CID 105100400
2-methyl-N'-(2-methylpyrazole-3-carbonyl)pyrazole-3-carbohydrazide
CID 899926
1-(5-chlorothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanone
CID 107063130
(5-chlorothiophen-2-yl)-(2-methyl-3-pyridinyl)methanone
CID 105122606
(2-methylpyrazol-3-yl)-(2,4,6-trimethylphenyl)methanone
CID 114972636
(1,5-dimethylpyrazol-4-yl)-(2-methylpyrazol-3-yl)methanone
CID 105100479
(5-chlorothiophen-2-yl)-pyridin-2-ylmethanone
CID 53401492

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-(2-methylpyrazol-3-yl)methanone?
The IUPAC name of (5-chlorothiophen-2-yl)-(2-methylpyrazol-3-yl)methanone (CID 114972633) is (5-chlorothiophen-2-yl)-(2-methylpyrazol-3-yl)methanone.
What is the SMILES notation for (5-chlorothiophen-2-yl)-(2-methylpyrazol-3-yl)methanone?
The canonical SMILES for (5-chlorothiophen-2-yl)-(2-methylpyrazol-3-yl)methanone is Cn1nccc1C(=O)c1ccc(Cl)s1.
What is the InChIKey of (5-chlorothiophen-2-yl)-(2-methylpyrazol-3-yl)methanone?
The InChIKey is WIHYXXRXTKLAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2OS/c1-12-6(4-5-11-12)9(13)7-2-3-8(10)14-7/h2-5H,1H3.
What are the key properties of (5-chlorothiophen-2-yl)-(2-methylpyrazol-3-yl)methanone?
(5-chlorothiophen-2-yl)-(2-methylpyrazol-3-yl)methanone has a molecular weight of 226.69 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-(2-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 114972633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).