1-(4-chloro-1-methylpyrazol-5-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone

C10H10ClN3OS — CID 114639858

IUPAC1-(4-chloro-1-methylpyrazol-5-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
SMILESCc1csc(CC(=O)c2c(Cl)cnn2C)n1
InChIInChI=1S/C10H10ClN3OS/c1-6-5-16-9(13-6)3-8(15)10-7(11)4-12-14(10)2/h4-5H,3H2,1-2H3
InChIKeyNQFJHKYZYNXKEM-UHFFFAOYSA-N
MW255.73 g/mol
LogP2.26
Rot. Bonds3

About 1-(4-chloro-1-methylpyrazol-5-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone

1-(4-chloro-1-methylpyrazol-5-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone (PubChem CID 114639858) has the molecular formula C10H10ClN3OS and a molecular weight of 255.73 g/mol. Its IUPAC name is 1-(4-chloro-1-methylpyrazol-5-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-chloro-1-methylpyrazol-5-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
PubChem CID114639858
Molecular FormulaC10H10ClN3OS
Molecular Weight255.73 g/mol
Exact Mass255.02
IUPAC Name1-(4-chloro-1-methylpyrazol-5-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
SMILESCc1csc(CC(=O)c2c(Cl)cnn2C)n1
InChIInChI=1S/C10H10ClN3OS/c1-6-5-16-9(13-6)3-8(15)10-7(11)4-12-14(10)2/h4-5H,3H2,1-2H3
InChIKeyNQFJHKYZYNXKEM-UHFFFAOYSA-N
XLogP2.26
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.73
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-amino-1,3-thiazol-4-yl)-1-(4-chloro-1-methylpyrazol-5-yl)ethanone
CID 114669471
2-(4-methyl-1,3-thiazol-2-yl)-1-(3-methyltriazol-4-yl)ethanone
CID 114685745
1-(2,5-dichlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 60977248
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 114639866
4-amino-1-(4-chloro-1-methylpyrazol-5-yl)-4-methylpentan-1-one
CID 114669269
CID 131842856
CID 131842856
1-(5-chloro-2-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 115586851
1-(3-chlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 60977103
4-chloro-1-methylpyrazole-5-carboxylic acid
CID 670823
2-(4-methyl-1,3-thiazol-2-yl)-1-pyridin-4-ylethanone
CID 112731545
1-(2,6-dichlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 62795300
1-(furan-3-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 63948149

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
The IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone (CID 114639858) is 1-(4-chloro-1-methylpyrazol-5-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 1-(4-chloro-1-methylpyrazol-5-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 1-(4-chloro-1-methylpyrazol-5-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone is Cc1csc(CC(=O)c2c(Cl)cnn2C)n1.
What is the InChIKey of 1-(4-chloro-1-methylpyrazol-5-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
The InChIKey is NQFJHKYZYNXKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3OS/c1-6-5-16-9(13-6)3-8(15)10-7(11)4-12-14(10)2/h4-5H,3H2,1-2H3.
What are the key properties of 1-(4-chloro-1-methylpyrazol-5-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
1-(4-chloro-1-methylpyrazol-5-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone has a molecular weight of 255.73 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-methylpyrazol-5-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 114639858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).