[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,3-thiazol-4-yl)methanone

C10H10ClN3O2S — CID 114641768

IUPAC[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,3-thiazol-4-yl)methanone
SMILESCOCCn1ncc(Cl)c1C(=O)c1cscn1
InChIInChI=1S/C10H10ClN3O2S/c1-16-3-2-14-9(7(11)4-13-14)10(15)8-5-17-6-12-8/h4-6H,2-3H2,1H3
InChIKeyKKGPLYYNRIYYLJ-UHFFFAOYSA-N
MW271.73 g/mol
LogP1.87
Rot. Bonds5

About [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,3-thiazol-4-yl)methanone

[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 114641768) has the molecular formula C10H10ClN3O2S and a molecular weight of 271.73 g/mol. Its IUPAC name is [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID114641768
Molecular FormulaC10H10ClN3O2S
Molecular Weight271.73 g/mol
Exact Mass271.02
IUPAC Name[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,3-thiazol-4-yl)methanone
SMILESCOCCn1ncc(Cl)c1C(=O)c1cscn1
InChIInChI=1S/C10H10ClN3O2S/c1-16-3-2-14-9(7(11)4-13-14)10(15)8-5-17-6-12-8/h4-6H,2-3H2,1H3
InChIKeyKKGPLYYNRIYYLJ-UHFFFAOYSA-N
XLogP1.87
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.73
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-methoxy-1-propylpyrazol-5-yl)-(1,3-thiazol-4-yl)methanone
CID 114641762
1-benzothiophen-3-yl-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanone
CID 115815310
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2,2-dimethoxyethanone
CID 114641389
(1-aminocyclopropyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanone
CID 114669526
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2,4,5-trimethylfuran-3-yl)methanone
CID 115815279
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-chloro-3-methylphenyl)methanone
CID 115815253
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-methoxy-2-methylpropan-1-one
CID 114641356
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3-methylbutan-1-one
CID 114639108
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2-chloro-3-methylphenyl)methanone
CID 115815257
(3-bromo-5-chlorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanone
CID 107944833
(4-bromo-2,6-difluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanone
CID 115815191
(4-amino-3-chlorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanone
CID 114669775

Frequently Asked Questions

What is the IUPAC name of [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,3-thiazol-4-yl)methanone (CID 114641768) is [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,3-thiazol-4-yl)methanone is COCCn1ncc(Cl)c1C(=O)c1cscn1.
What is the InChIKey of [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is KKGPLYYNRIYYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O2S/c1-16-3-2-14-9(7(11)4-13-14)10(15)8-5-17-6-12-8/h4-6H,2-3H2,1H3.
What are the key properties of [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,3-thiazol-4-yl)methanone?
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 271.73 g/mol, XLogP of 1.87, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 114641768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).