(3-methoxythiophen-2-yl)-(2-propylpyrazol-3-yl)methanol

C12H16N2O2S — CID 115798642

IUPAC(3-methoxythiophen-2-yl)-(2-propylpyrazol-3-yl)methanol
SMILESCCCn1nccc1C(O)c1sccc1OC
InChIInChI=1S/C12H16N2O2S/c1-3-7-14-9(4-6-13-14)11(15)12-10(16-2)5-8-17-12/h4-6,8,11,15H,3,7H2,1-2H3
InChIKeyBWYSWSHBJJFHCJ-UHFFFAOYSA-N
MW252.34 g/mol
LogP2.44
Rot. Bonds5

About (3-methoxythiophen-2-yl)-(2-propylpyrazol-3-yl)methanol

(3-methoxythiophen-2-yl)-(2-propylpyrazol-3-yl)methanol (PubChem CID 115798642) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is (3-methoxythiophen-2-yl)-(2-propylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name(3-methoxythiophen-2-yl)-(2-propylpyrazol-3-yl)methanol
PubChem CID115798642
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name(3-methoxythiophen-2-yl)-(2-propylpyrazol-3-yl)methanol
SMILESCCCn1nccc1C(O)c1sccc1OC
InChIInChI=1S/C12H16N2O2S/c1-3-7-14-9(4-6-13-14)11(15)12-10(16-2)5-8-17-12/h4-6,8,11,15H,3,7H2,1-2H3
InChIKeyBWYSWSHBJJFHCJ-UHFFFAOYSA-N
XLogP2.44
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methoxy-1-propylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methanol
CID 115837711
(3-methoxy-4-pyridinyl)-(2-propylpyrazol-3-yl)methanol
CID 105066291
(3-fluoro-4-methoxyphenyl)-(2-propylpyrazol-3-yl)methanol
CID 65100970
(1-ethyl-4-methoxypyrazol-5-yl)-(3-methoxythiophen-2-yl)methanol
CID 115837106
(4-ethylphenyl)-(2-propylpyrazol-3-yl)methanol
CID 63976106
(5-methoxy-3-pyridinyl)-(2-propylpyrazol-3-yl)methanol
CID 114557064
furan-3-yl-(2-propylpyrazol-3-yl)methanol
CID 63974629
(2-propylpyrazol-3-yl)-pyrimidin-5-ylmethanol
CID 114556923
N-[(4-chloro-1-propylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methyl]ethanamine
CID 105042817
(4-methoxy-1-propylpyrazol-5-yl)-(1,3-thiazol-2-yl)methanol
CID 114638165
(2-propoxyphenyl)-(2-propylpyrazol-3-yl)methanol
CID 114557016
2-(2-fluoro-3-methoxyphenyl)-1-(2-propylpyrazol-3-yl)ethanol
CID 114556975

Frequently Asked Questions

What is the IUPAC name of (3-methoxythiophen-2-yl)-(2-propylpyrazol-3-yl)methanol?
The IUPAC name of (3-methoxythiophen-2-yl)-(2-propylpyrazol-3-yl)methanol (CID 115798642) is (3-methoxythiophen-2-yl)-(2-propylpyrazol-3-yl)methanol.
What is the SMILES notation for (3-methoxythiophen-2-yl)-(2-propylpyrazol-3-yl)methanol?
The canonical SMILES for (3-methoxythiophen-2-yl)-(2-propylpyrazol-3-yl)methanol is CCCn1nccc1C(O)c1sccc1OC.
What is the InChIKey of (3-methoxythiophen-2-yl)-(2-propylpyrazol-3-yl)methanol?
The InChIKey is BWYSWSHBJJFHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-3-7-14-9(4-6-13-14)11(15)12-10(16-2)5-8-17-12/h4-6,8,11,15H,3,7H2,1-2H3.
What are the key properties of (3-methoxythiophen-2-yl)-(2-propylpyrazol-3-yl)methanol?
(3-methoxythiophen-2-yl)-(2-propylpyrazol-3-yl)methanol has a molecular weight of 252.34 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxythiophen-2-yl)-(2-propylpyrazol-3-yl)methanol is sourced from PubChem (CID 115798642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).