3-(1-methylpyrazol-4-yl)-1-(4-methylthiophen-3-yl)propan-1-ol

C12H16N2OS — CID 103008373

IUPAC3-(1-methylpyrazol-4-yl)-1-(4-methylthiophen-3-yl)propan-1-ol
SMILESCc1cscc1C(O)CCc1cnn(C)c1
InChIInChI=1S/C12H16N2OS/c1-9-7-16-8-11(9)12(15)4-3-10-5-13-14(2)6-10/h5-8,12,15H,3-4H2,1-2H3
InChIKeyPZNSOGXEKYZSLB-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.46
Rot. Bonds4

About 3-(1-methylpyrazol-4-yl)-1-(4-methylthiophen-3-yl)propan-1-ol

3-(1-methylpyrazol-4-yl)-1-(4-methylthiophen-3-yl)propan-1-ol (PubChem CID 103008373) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-1-(4-methylthiophen-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-1-(4-methylthiophen-3-yl)propan-1-ol
PubChem CID103008373
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name3-(1-methylpyrazol-4-yl)-1-(4-methylthiophen-3-yl)propan-1-ol
SMILESCc1cscc1C(O)CCc1cnn(C)c1
InChIInChI=1S/C12H16N2OS/c1-9-7-16-8-11(9)12(15)4-3-10-5-13-14(2)6-10/h5-8,12,15H,3-4H2,1-2H3
InChIKeyPZNSOGXEKYZSLB-UHFFFAOYSA-N
XLogP2.46
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(1-methylpyrazol-4-yl)-1-(4-methylthiophen-3-yl)propyl]hydrazine
CID 103025760
N-ethyl-3-(1-methylpyrazol-4-yl)-1-(4-methylthiophen-3-yl)propan-1-amine
CID 103011526
3-(1-methylpyrazol-4-yl)-1-(4-methylthiophen-3-yl)-N-propylpropan-1-amine
CID 103011529
1-(2-bromo-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 114024293
[2-(1-methylpyrazol-4-yl)-1-(4-methylthiophen-3-yl)ethyl]hydrazine
CID 105251829
1-(2-bromophenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103006091
1-(2-cyclopropylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103006443
4-(1-methylpyrazol-4-yl)-1-thiophen-3-ylbutan-2-ol
CID 103027778
3-(1-methylpyrazol-4-yl)-1-(4-methyl-2-pyridinyl)propan-1-ol
CID 103008136
4-ethoxy-1-(1-methylpyrazol-4-yl)pentan-3-ol
CID 103008145
3-methyl-5-(1-methylpyrazol-4-yl)pentan-2-one
CID 103004218
2-hydroxy-4-(1-methylpyrazol-4-yl)butanal
CID 103006402

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-1-(4-methylthiophen-3-yl)propan-1-ol?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-1-(4-methylthiophen-3-yl)propan-1-ol (CID 103008373) is 3-(1-methylpyrazol-4-yl)-1-(4-methylthiophen-3-yl)propan-1-ol.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-1-(4-methylthiophen-3-yl)propan-1-ol?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-1-(4-methylthiophen-3-yl)propan-1-ol is Cc1cscc1C(O)CCc1cnn(C)c1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-1-(4-methylthiophen-3-yl)propan-1-ol?
The InChIKey is PZNSOGXEKYZSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-9-7-16-8-11(9)12(15)4-3-10-5-13-14(2)6-10/h5-8,12,15H,3-4H2,1-2H3.
What are the key properties of 3-(1-methylpyrazol-4-yl)-1-(4-methylthiophen-3-yl)propan-1-ol?
3-(1-methylpyrazol-4-yl)-1-(4-methylthiophen-3-yl)propan-1-ol has a molecular weight of 236.34 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-1-(4-methylthiophen-3-yl)propan-1-ol is sourced from PubChem (CID 103008373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).