(4-methoxy-1-propylpyrazol-5-yl)-(4-propylthiadiazol-5-yl)methanol

C13H20N4O2S — CID 105130551

IUPAC(4-methoxy-1-propylpyrazol-5-yl)-(4-propylthiadiazol-5-yl)methanol
SMILESCCCc1nnsc1C(O)c1c(OC)cnn1CCC
InChIInChI=1S/C13H20N4O2S/c1-4-6-9-13(20-16-15-9)12(18)11-10(19-3)8-14-17(11)7-5-2/h8,12,18H,4-7H2,1-3H3
InChIKeySXZYUBGFNBQSQN-UHFFFAOYSA-N
MW296.40 g/mol
LogP2.19
Rot. Bonds7

About (4-methoxy-1-propylpyrazol-5-yl)-(4-propylthiadiazol-5-yl)methanol

(4-methoxy-1-propylpyrazol-5-yl)-(4-propylthiadiazol-5-yl)methanol (PubChem CID 105130551) has the molecular formula C13H20N4O2S and a molecular weight of 296.40 g/mol. Its IUPAC name is (4-methoxy-1-propylpyrazol-5-yl)-(4-propylthiadiazol-5-yl)methanol.

Molecular Properties

Compound Name(4-methoxy-1-propylpyrazol-5-yl)-(4-propylthiadiazol-5-yl)methanol
PubChem CID105130551
Molecular FormulaC13H20N4O2S
Molecular Weight296.40 g/mol
Exact Mass296.13
IUPAC Name(4-methoxy-1-propylpyrazol-5-yl)-(4-propylthiadiazol-5-yl)methanol
SMILESCCCc1nnsc1C(O)c1c(OC)cnn1CCC
InChIInChI=1S/C13H20N4O2S/c1-4-6-9-13(20-16-15-9)12(18)11-10(19-3)8-14-17(11)7-5-2/h8,12,18H,4-7H2,1-3H3
InChIKeySXZYUBGFNBQSQN-UHFFFAOYSA-N
XLogP2.19
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(4-methoxy-1-propylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methanol
CID 115837711
(4-methoxy-1-propylpyrazol-5-yl)-(3-propylimidazol-4-yl)methanol
CID 114636682
(4-methoxy-1-propylpyrazol-5-yl)-(1,3-thiazol-2-yl)methanol
CID 114638165
(4-methoxy-1-propylpyrazol-5-yl)-(1,2,5-thiadiazol-3-yl)methanol
CID 105130490
(1,5-dimethylpyrazol-4-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 114636784
1-(4-methoxy-1-propylpyrazol-5-yl)pentan-1-ol
CID 114635614
furan-3-yl-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 114635264
2-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)propan-1-ol
CID 114644693
4-[hydroxy-(4-methoxy-1-propylpyrazol-5-yl)methyl]benzonitrile
CID 114637571
(4-bromo-3,5-dimethylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 114645987
(2-ethoxyphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 114634116
(5-bromo-4-methylthiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 115837682

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-1-propylpyrazol-5-yl)-(4-propylthiadiazol-5-yl)methanol?
The IUPAC name of (4-methoxy-1-propylpyrazol-5-yl)-(4-propylthiadiazol-5-yl)methanol (CID 105130551) is (4-methoxy-1-propylpyrazol-5-yl)-(4-propylthiadiazol-5-yl)methanol.
What is the SMILES notation for (4-methoxy-1-propylpyrazol-5-yl)-(4-propylthiadiazol-5-yl)methanol?
The canonical SMILES for (4-methoxy-1-propylpyrazol-5-yl)-(4-propylthiadiazol-5-yl)methanol is CCCc1nnsc1C(O)c1c(OC)cnn1CCC.
What is the InChIKey of (4-methoxy-1-propylpyrazol-5-yl)-(4-propylthiadiazol-5-yl)methanol?
The InChIKey is SXZYUBGFNBQSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S/c1-4-6-9-13(20-16-15-9)12(18)11-10(19-3)8-14-17(11)7-5-2/h8,12,18H,4-7H2,1-3H3.
What are the key properties of (4-methoxy-1-propylpyrazol-5-yl)-(4-propylthiadiazol-5-yl)methanol?
(4-methoxy-1-propylpyrazol-5-yl)-(4-propylthiadiazol-5-yl)methanol has a molecular weight of 296.40 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-1-propylpyrazol-5-yl)-(4-propylthiadiazol-5-yl)methanol is sourced from PubChem (CID 105130551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).