(4-methoxy-1-propylpyrazol-5-yl)-(1,3-thiazol-4-yl)methanone

C11H13N3O2S — CID 114641762

IUPAC(4-methoxy-1-propylpyrazol-5-yl)-(1,3-thiazol-4-yl)methanone
SMILESCCCn1ncc(OC)c1C(=O)c1cscn1
InChIInChI=1S/C11H13N3O2S/c1-3-4-14-10(9(16-2)5-13-14)11(15)8-6-17-7-12-8/h5-7H,3-4H2,1-2H3
InChIKeyRPUVBOPSSARFJT-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.99
Rot. Bonds5

About (4-methoxy-1-propylpyrazol-5-yl)-(1,3-thiazol-4-yl)methanone

(4-methoxy-1-propylpyrazol-5-yl)-(1,3-thiazol-4-yl)methanone (PubChem CID 114641762) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is (4-methoxy-1-propylpyrazol-5-yl)-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(4-methoxy-1-propylpyrazol-5-yl)-(1,3-thiazol-4-yl)methanone
PubChem CID114641762
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name(4-methoxy-1-propylpyrazol-5-yl)-(1,3-thiazol-4-yl)methanone
SMILESCCCn1ncc(OC)c1C(=O)c1cscn1
InChIInChI=1S/C11H13N3O2S/c1-3-4-14-10(9(16-2)5-13-14)11(15)8-6-17-7-12-8/h5-7H,3-4H2,1-2H3
InChIKeyRPUVBOPSSARFJT-UHFFFAOYSA-N
XLogP1.99
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-methoxy-1-propylpyrazol-5-yl)-pyridin-2-ylmethanone
CID 114638964
(4-methoxy-1-propylpyrazol-5-yl)-(4-methyl-2-pyridinyl)methanone
CID 114640154
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,3-thiazol-4-yl)methanone
CID 114641768
(3-chlorothiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 115810952
(1,5-dimethylpyrazol-4-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 105133531
(3,5-dimethyl-2-pyridinyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 114642302
1-benzothiophen-3-yl-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 115811046
cyclopenten-1-yl-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 103448192
(2,6-dichlorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 115810962
2-amino-3,3,3-trifluoro-1-(4-methoxy-1-propylpyrazol-5-yl)-2-methylpropan-1-one
CID 114670313
(4-methoxy-1-propylpyrazol-5-yl)-(4-methyl-3-pyridinyl)methanone
CID 114877609
1-(4-methoxy-1-propylpyrazol-5-yl)decan-1-one
CID 115810940

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-1-propylpyrazol-5-yl)-(1,3-thiazol-4-yl)methanone?
The IUPAC name of (4-methoxy-1-propylpyrazol-5-yl)-(1,3-thiazol-4-yl)methanone (CID 114641762) is (4-methoxy-1-propylpyrazol-5-yl)-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for (4-methoxy-1-propylpyrazol-5-yl)-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for (4-methoxy-1-propylpyrazol-5-yl)-(1,3-thiazol-4-yl)methanone is CCCn1ncc(OC)c1C(=O)c1cscn1.
What is the InChIKey of (4-methoxy-1-propylpyrazol-5-yl)-(1,3-thiazol-4-yl)methanone?
The InChIKey is RPUVBOPSSARFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-3-4-14-10(9(16-2)5-13-14)11(15)8-6-17-7-12-8/h5-7H,3-4H2,1-2H3.
What are the key properties of (4-methoxy-1-propylpyrazol-5-yl)-(1,3-thiazol-4-yl)methanone?
(4-methoxy-1-propylpyrazol-5-yl)-(1,3-thiazol-4-yl)methanone has a molecular weight of 251.31 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-1-propylpyrazol-5-yl)-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 114641762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).