1-cyclohexyl-3-(1,3-thiazol-2-yl)pyrazole-4-carboxylic acid

C13H15N3O2S — CID 64993558

IUPAC1-cyclohexyl-3-(1,3-thiazol-2-yl)pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn(C2CCCCC2)nc1-c1nccs1
InChIInChI=1S/C13H15N3O2S/c17-13(18)10-8-16(9-4-2-1-3-5-9)15-11(10)12-14-6-7-19-12/h6-9H,1-5H2,(H,17,18)
InChIKeyBWTVOAYIZYLXRJ-UHFFFAOYSA-N
MW277.35 g/mol
LogP3.21
Rot. Bonds3

About 1-cyclohexyl-3-(1,3-thiazol-2-yl)pyrazole-4-carboxylic acid

1-cyclohexyl-3-(1,3-thiazol-2-yl)pyrazole-4-carboxylic acid (PubChem CID 64993558) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 1-cyclohexyl-3-(1,3-thiazol-2-yl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-cyclohexyl-3-(1,3-thiazol-2-yl)pyrazole-4-carboxylic acid
PubChem CID64993558
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name1-cyclohexyl-3-(1,3-thiazol-2-yl)pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn(C2CCCCC2)nc1-c1nccs1
InChIInChI=1S/C13H15N3O2S/c17-13(18)10-8-16(9-4-2-1-3-5-9)15-11(10)12-14-6-7-19-12/h6-9H,1-5H2,(H,17,18)
InChIKeyBWTVOAYIZYLXRJ-UHFFFAOYSA-N
XLogP3.21
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(1,3-thiazol-2-yl)pyrazole-4-carboxylic acid?
The IUPAC name of 1-cyclohexyl-3-(1,3-thiazol-2-yl)pyrazole-4-carboxylic acid (CID 64993558) is 1-cyclohexyl-3-(1,3-thiazol-2-yl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-cyclohexyl-3-(1,3-thiazol-2-yl)pyrazole-4-carboxylic acid?
The canonical SMILES for 1-cyclohexyl-3-(1,3-thiazol-2-yl)pyrazole-4-carboxylic acid is O=C(O)c1cn(C2CCCCC2)nc1-c1nccs1.
What is the InChIKey of 1-cyclohexyl-3-(1,3-thiazol-2-yl)pyrazole-4-carboxylic acid?
The InChIKey is BWTVOAYIZYLXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c17-13(18)10-8-16(9-4-2-1-3-5-9)15-11(10)12-14-6-7-19-12/h6-9H,1-5H2,(H,17,18).
What are the key properties of 1-cyclohexyl-3-(1,3-thiazol-2-yl)pyrazole-4-carboxylic acid?
1-cyclohexyl-3-(1,3-thiazol-2-yl)pyrazole-4-carboxylic acid has a molecular weight of 277.35 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(1,3-thiazol-2-yl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 64993558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).