1-(4-methoxy-1-propylpyrazol-5-yl)-2-thiophen-2-ylethanone

C13H16N2O2S — CID 114639732

IUPAC1-(4-methoxy-1-propylpyrazol-5-yl)-2-thiophen-2-ylethanone
SMILESCCCn1ncc(OC)c1C(=O)Cc1cccs1
InChIInChI=1S/C13H16N2O2S/c1-3-6-15-13(12(17-2)9-14-15)11(16)8-10-5-4-7-18-10/h4-5,7,9H,3,6,8H2,1-2H3
InChIKeyCVEQVUNXDPKLOD-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.79
Rot. Bonds6

About 1-(4-methoxy-1-propylpyrazol-5-yl)-2-thiophen-2-ylethanone

1-(4-methoxy-1-propylpyrazol-5-yl)-2-thiophen-2-ylethanone (PubChem CID 114639732) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 1-(4-methoxy-1-propylpyrazol-5-yl)-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-(4-methoxy-1-propylpyrazol-5-yl)-2-thiophen-2-ylethanone
PubChem CID114639732
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name1-(4-methoxy-1-propylpyrazol-5-yl)-2-thiophen-2-ylethanone
SMILESCCCn1ncc(OC)c1C(=O)Cc1cccs1
InChIInChI=1S/C13H16N2O2S/c1-3-6-15-13(12(17-2)9-14-15)11(16)8-10-5-4-7-18-10/h4-5,7,9H,3,6,8H2,1-2H3
InChIKeyCVEQVUNXDPKLOD-UHFFFAOYSA-N
XLogP2.79
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-fluorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanone
CID 114639487
2-(3-chloro-2-fluorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanone
CID 114642210
1-(4-methoxy-1-propylpyrazol-5-yl)decan-1-one
CID 115810940
4-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)pentan-1-one
CID 105133556
2-(tert-butylamino)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanone
CID 114670106
2-(1-aminocyclopentyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanone
CID 114669614
1-(4-chloro-1-propylpyrazol-5-yl)-4-thiophen-2-ylbutan-1-one
CID 105130983
(2,6-dichlorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 115810962
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-pyridin-4-ylethanone
CID 114639766
(4-methoxy-1-propylpyrazol-5-yl)-pyridin-2-ylmethanone
CID 114638964
2-amino-3,3,3-trifluoro-1-(4-methoxy-1-propylpyrazol-5-yl)-2-methylpropan-1-one
CID 114670313
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-phenylethanone
CID 114638948

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-1-propylpyrazol-5-yl)-2-thiophen-2-ylethanone?
The IUPAC name of 1-(4-methoxy-1-propylpyrazol-5-yl)-2-thiophen-2-ylethanone (CID 114639732) is 1-(4-methoxy-1-propylpyrazol-5-yl)-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-(4-methoxy-1-propylpyrazol-5-yl)-2-thiophen-2-ylethanone?
The canonical SMILES for 1-(4-methoxy-1-propylpyrazol-5-yl)-2-thiophen-2-ylethanone is CCCn1ncc(OC)c1C(=O)Cc1cccs1.
What is the InChIKey of 1-(4-methoxy-1-propylpyrazol-5-yl)-2-thiophen-2-ylethanone?
The InChIKey is CVEQVUNXDPKLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-3-6-15-13(12(17-2)9-14-15)11(16)8-10-5-4-7-18-10/h4-5,7,9H,3,6,8H2,1-2H3.
What are the key properties of 1-(4-methoxy-1-propylpyrazol-5-yl)-2-thiophen-2-ylethanone?
1-(4-methoxy-1-propylpyrazol-5-yl)-2-thiophen-2-ylethanone has a molecular weight of 264.35 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-1-propylpyrazol-5-yl)-2-thiophen-2-ylethanone is sourced from PubChem (CID 114639732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).