(4-chloro-1-ethylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methanone

C10H7Cl3N2OS — CID 107967804

IUPAC(4-chloro-1-ethylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methanone
SMILESCCn1ncc(Cl)c1C(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H7Cl3N2OS/c1-2-15-8(6(11)4-14-15)9(16)5-3-7(12)17-10(5)13/h3-4H,2H2,1H3
InChIKeyDXRPMTYRFSVWCY-UHFFFAOYSA-N
MW309.61 g/mol
LogP4.16
Rot. Bonds3

About (4-chloro-1-ethylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methanone

(4-chloro-1-ethylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methanone (PubChem CID 107967804) has the molecular formula C10H7Cl3N2OS and a molecular weight of 309.61 g/mol. Its IUPAC name is (4-chloro-1-ethylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methanone.

Molecular Properties

Compound Name(4-chloro-1-ethylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methanone
PubChem CID107967804
Molecular FormulaC10H7Cl3N2OS
Molecular Weight309.61 g/mol
Exact Mass307.93
IUPAC Name(4-chloro-1-ethylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methanone
SMILESCCn1ncc(Cl)c1C(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H7Cl3N2OS/c1-2-15-8(6(11)4-14-15)9(16)5-3-7(12)17-10(5)13/h3-4H,2H2,1H3
InChIKeyDXRPMTYRFSVWCY-UHFFFAOYSA-N
XLogP4.16
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.61
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-1-ethylpyrazol-5-yl)-(2,5-dibromothiophen-3-yl)methanone
CID 107967803
(4-chloro-1-ethylpyrazol-5-yl)-(2,4-dibromophenyl)methanone
CID 114019163
(4-chloro-1-ethylpyrazol-5-yl)-(2-methoxyphenyl)methanone
CID 57214416
(4-chloro-1-ethylpyrazol-5-yl)-(2-fluoro-4-methylphenyl)methanone
CID 115803927
(4-chloro-1-ethylpyrazol-5-yl)-(2-ethoxyphenyl)methanone
CID 114642059
(4-amino-3,5-dichlorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanone
CID 114671121
(4-chloro-1-ethylpyrazol-5-yl)-(1,3-diethylpyrazol-5-yl)methanone
CID 105130314
[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2,5-dichlorothiophen-3-yl)methanone
CID 107967806
(4-chloro-1-ethylpyrazol-5-yl)-(3-chlorophenyl)methanone
CID 54068469
(4-aminophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanone
CID 114668108
[2-amino-5-(trifluoromethyl)phenyl]-(4-chloro-1-ethylpyrazol-5-yl)methanone
CID 114642238
(2-bromo-3-fluorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanone
CID 115803888

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methanone?
The IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methanone (CID 107967804) is (4-chloro-1-ethylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methanone.
What is the SMILES notation for (4-chloro-1-ethylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methanone?
The canonical SMILES for (4-chloro-1-ethylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methanone is CCn1ncc(Cl)c1C(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of (4-chloro-1-ethylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methanone?
The InChIKey is DXRPMTYRFSVWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl3N2OS/c1-2-15-8(6(11)4-14-15)9(16)5-3-7(12)17-10(5)13/h3-4H,2H2,1H3.
What are the key properties of (4-chloro-1-ethylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methanone?
(4-chloro-1-ethylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methanone has a molecular weight of 309.61 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-ethylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methanone is sourced from PubChem (CID 107967804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).