(3-chlorothiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanone

C12H13ClN2O2S — CID 115810952

IUPAC(3-chlorothiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
SMILESCCCn1ncc(OC)c1C(=O)c1sccc1Cl
InChIInChI=1S/C12H13ClN2O2S/c1-3-5-15-10(9(17-2)7-14-15)11(16)12-8(13)4-6-18-12/h4,6-7H,3,5H2,1-2H3
InChIKeyZEKSCTAESPNQRH-UHFFFAOYSA-N
MW284.77 g/mol
LogP3.25
Rot. Bonds5

About (3-chlorothiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanone

(3-chlorothiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanone (PubChem CID 115810952) has the molecular formula C12H13ClN2O2S and a molecular weight of 284.77 g/mol. Its IUPAC name is (3-chlorothiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name(3-chlorothiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
PubChem CID115810952
Molecular FormulaC12H13ClN2O2S
Molecular Weight284.77 g/mol
Exact Mass284.04
IUPAC Name(3-chlorothiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
SMILESCCCn1ncc(OC)c1C(=O)c1sccc1Cl
InChIInChI=1S/C12H13ClN2O2S/c1-3-5-15-10(9(17-2)7-14-15)11(16)12-8(13)4-6-18-12/h4,6-7H,3,5H2,1-2H3
InChIKeyZEKSCTAESPNQRH-UHFFFAOYSA-N
XLogP3.25
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.77
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3-chlorothiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,6-dichlorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 115810962
[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(3-methoxythiophen-2-yl)methanone
CID 115803118
(3-bromothiophen-2-yl)-(4-chloro-1-propylpyrazol-5-yl)methanone
CID 115805645
(4-chloro-3-methylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 115811009
(3-chloro-2-fluorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 114640314
1-benzothiophen-3-yl-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 115811046
(4-methoxy-1-propylpyrazol-5-yl)-(1,3-thiazol-4-yl)methanone
CID 114641762
(4-methoxy-1-propylpyrazol-5-yl)-pyridin-2-ylmethanone
CID 114638964
(5-chloro-2-methylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 115810975
cyclopenten-1-yl-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 103448192
(4-methoxy-1-methylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methanone
CID 115809517
(4-methoxy-1-propylpyrazol-5-yl)-(4-methyl-2-pyridinyl)methanone
CID 114640154

Frequently Asked Questions

What is the IUPAC name of (3-chlorothiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanone?
The IUPAC name of (3-chlorothiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanone (CID 115810952) is (3-chlorothiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanone.
What is the SMILES notation for (3-chlorothiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanone?
The canonical SMILES for (3-chlorothiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanone is CCCn1ncc(OC)c1C(=O)c1sccc1Cl.
What is the InChIKey of (3-chlorothiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanone?
The InChIKey is ZEKSCTAESPNQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2S/c1-3-5-15-10(9(17-2)7-14-15)11(16)12-8(13)4-6-18-12/h4,6-7H,3,5H2,1-2H3.
What are the key properties of (3-chlorothiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanone?
(3-chlorothiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanone has a molecular weight of 284.77 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorothiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanone is sourced from PubChem (CID 115810952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).