(4-methoxy-1-propylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methanol

C13H18N2O3S — CID 115837711

IUPAC(4-methoxy-1-propylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methanol
SMILESCCCn1ncc(OC)c1C(O)c1sccc1OC
InChIInChI=1S/C13H18N2O3S/c1-4-6-15-11(10(18-3)8-14-15)12(16)13-9(17-2)5-7-19-13/h5,7-8,12,16H,4,6H2,1-3H3
InChIKeySKIOEZPKLSSHCW-UHFFFAOYSA-N
MW282.37 g/mol
LogP2.45
Rot. Bonds6

About (4-methoxy-1-propylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methanol

(4-methoxy-1-propylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methanol (PubChem CID 115837711) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is (4-methoxy-1-propylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methanol.

Molecular Properties

Compound Name(4-methoxy-1-propylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methanol
PubChem CID115837711
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC Name(4-methoxy-1-propylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methanol
SMILESCCCn1ncc(OC)c1C(O)c1sccc1OC
InChIInChI=1S/C13H18N2O3S/c1-4-6-15-11(10(18-3)8-14-15)12(16)13-9(17-2)5-7-19-13/h5,7-8,12,16H,4,6H2,1-3H3
InChIKeySKIOEZPKLSSHCW-UHFFFAOYSA-N
XLogP2.45
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1-ethyl-4-methoxypyrazol-5-yl)-(3-methoxythiophen-2-yl)methanol
CID 115837106
(4-methoxy-1-propylpyrazol-5-yl)-(1,3-thiazol-2-yl)methanol
CID 114638165
(3-methoxythiophen-2-yl)-(2-propylpyrazol-3-yl)methanol
CID 115798642
(4-methoxy-1-propylpyrazol-5-yl)-(4-propylthiadiazol-5-yl)methanol
CID 105130551
(4-methoxy-1-propylpyrazol-5-yl)-(3-propylimidazol-4-yl)methanol
CID 114636682
1-(3-bromothiophen-2-yl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 105048698
(4-methoxy-1-propylpyrazol-5-yl)-(1,2,5-thiadiazol-3-yl)methanol
CID 105130490
furan-3-yl-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 114635264
N-[(4-chloro-1-propylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methyl]ethanamine
CID 105042817
N-[(3-bromothiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]ethanamine
CID 105048861
4-[hydroxy-(4-methoxy-1-propylpyrazol-5-yl)methyl]benzonitrile
CID 114637571
(2-ethoxyphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 114634116

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-1-propylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methanol?
The IUPAC name of (4-methoxy-1-propylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methanol (CID 115837711) is (4-methoxy-1-propylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methanol.
What is the SMILES notation for (4-methoxy-1-propylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methanol?
The canonical SMILES for (4-methoxy-1-propylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methanol is CCCn1ncc(OC)c1C(O)c1sccc1OC.
What is the InChIKey of (4-methoxy-1-propylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methanol?
The InChIKey is SKIOEZPKLSSHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-4-6-15-11(10(18-3)8-14-15)12(16)13-9(17-2)5-7-19-13/h5,7-8,12,16H,4,6H2,1-3H3.
What are the key properties of (4-methoxy-1-propylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methanol?
(4-methoxy-1-propylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methanol has a molecular weight of 282.37 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-1-propylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methanol is sourced from PubChem (CID 115837711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).