1-(3-ethylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol

C13H18N2OS — CID 103027918

IUPAC1-(3-ethylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol
SMILESCCc1ccsc1C(O)CCc1cnn(C)c1
InChIInChI=1S/C13H18N2OS/c1-3-11-6-7-17-13(11)12(16)5-4-10-8-14-15(2)9-10/h6-9,12,16H,3-5H2,1-2H3
InChIKeyCPEJJUHGVMDIIO-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.71
Rot. Bonds5

About 1-(3-ethylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol

1-(3-ethylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol (PubChem CID 103027918) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is 1-(3-ethylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name1-(3-ethylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol
PubChem CID103027918
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name1-(3-ethylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol
SMILESCCc1ccsc1C(O)CCc1cnn(C)c1
InChIInChI=1S/C13H18N2OS/c1-3-11-6-7-17-13(11)12(16)5-4-10-8-14-15(2)9-10/h6-9,12,16H,3-5H2,1-2H3
InChIKeyCPEJJUHGVMDIIO-UHFFFAOYSA-N
XLogP2.71
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}piperidin-4-yl)(2-thienyl)methanol
CID 16190164
2-[Benzyl-[(1-methylpyrazol-4-yl)methyl]amino]-1-thiophen-2-ylethanol
CID 75425683
1-(3-Chlorothiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103027765
3-(1-Methylpyrazol-4-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propan-1-ol
CID 103027810
1-(5-Bromo-4-methylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103027876
3-(1-Methylpyrazol-4-yl)-1-thieno[3,2-b]thiophen-5-ylpropan-1-ol
CID 103027895
1-(5-Bromothiophen-3-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103027898
3-(1-Methylpyrazol-4-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propan-1-ol
CID 103027906
1-(3-Methoxythiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103027919
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 103027953
3-(2-Methylpyrazol-3-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propan-1-ol
CID 103027993
1-(5-Iodothiophen-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 103028000

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol?
The IUPAC name of 1-(3-ethylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol (CID 103027918) is 1-(3-ethylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol.
What is the SMILES notation for 1-(3-ethylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol?
The canonical SMILES for 1-(3-ethylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol is CCc1ccsc1C(O)CCc1cnn(C)c1.
What is the InChIKey of 1-(3-ethylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol?
The InChIKey is CPEJJUHGVMDIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-3-11-6-7-17-13(11)12(16)5-4-10-8-14-15(2)9-10/h6-9,12,16H,3-5H2,1-2H3.
What are the key properties of 1-(3-ethylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol?
1-(3-ethylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol has a molecular weight of 250.37 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol is sourced from PubChem (CID 103027918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).