1-(1-methylpyrazol-3-yl)-2-(3-methylthiophen-2-yl)propan-2-ol

C12H16N2OS — CID 82868993

IUPAC1-(1-methylpyrazol-3-yl)-2-(3-methylthiophen-2-yl)propan-2-ol
SMILESCc1ccsc1C(C)(O)Cc1ccn(C)n1
InChIInChI=1S/C12H16N2OS/c1-9-5-7-16-11(9)12(2,15)8-10-4-6-14(3)13-10/h4-7,15H,8H2,1-3H3
InChIKeyFSOKPFAAILYUCR-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.24
Rot. Bonds3

About 1-(1-methylpyrazol-3-yl)-2-(3-methylthiophen-2-yl)propan-2-ol

1-(1-methylpyrazol-3-yl)-2-(3-methylthiophen-2-yl)propan-2-ol (PubChem CID 82868993) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 1-(1-methylpyrazol-3-yl)-2-(3-methylthiophen-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(1-methylpyrazol-3-yl)-2-(3-methylthiophen-2-yl)propan-2-ol
PubChem CID82868993
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name1-(1-methylpyrazol-3-yl)-2-(3-methylthiophen-2-yl)propan-2-ol
SMILESCc1ccsc1C(C)(O)Cc1ccn(C)n1
InChIInChI=1S/C12H16N2OS/c1-9-5-7-16-11(9)12(2,15)8-10-4-6-14(3)13-10/h4-7,15H,8H2,1-3H3
InChIKeyFSOKPFAAILYUCR-UHFFFAOYSA-N
XLogP2.24
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-3-yl)-2-(3-methylthiophen-2-yl)propan-2-ol?
The IUPAC name of 1-(1-methylpyrazol-3-yl)-2-(3-methylthiophen-2-yl)propan-2-ol (CID 82868993) is 1-(1-methylpyrazol-3-yl)-2-(3-methylthiophen-2-yl)propan-2-ol.
What is the SMILES notation for 1-(1-methylpyrazol-3-yl)-2-(3-methylthiophen-2-yl)propan-2-ol?
The canonical SMILES for 1-(1-methylpyrazol-3-yl)-2-(3-methylthiophen-2-yl)propan-2-ol is Cc1ccsc1C(C)(O)Cc1ccn(C)n1.
What is the InChIKey of 1-(1-methylpyrazol-3-yl)-2-(3-methylthiophen-2-yl)propan-2-ol?
The InChIKey is FSOKPFAAILYUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-9-5-7-16-11(9)12(2,15)8-10-4-6-14(3)13-10/h4-7,15H,8H2,1-3H3.
What are the key properties of 1-(1-methylpyrazol-3-yl)-2-(3-methylthiophen-2-yl)propan-2-ol?
1-(1-methylpyrazol-3-yl)-2-(3-methylthiophen-2-yl)propan-2-ol has a molecular weight of 236.34 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-3-yl)-2-(3-methylthiophen-2-yl)propan-2-ol is sourced from PubChem (CID 82868993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).