dimethylamino-[5-(1,5-dimethylpyrazol-3-yl)thiophen-2-yl]methanol

C12H17N3OS — CID 143534101

IUPACdimethylamino-[5-(1,5-dimethylpyrazol-3-yl)thiophen-2-yl]methanol
SMILESCc1cc(-c2ccc(C(O)N(C)C)s2)nn1C
InChIInChI=1S/C12H17N3OS/c1-8-7-9(13-15(8)4)10-5-6-11(17-10)12(16)14(2)3/h5-7,12,16H,1-4H3
InChIKeyXXESVDIWERNOEV-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.01
Rot. Bonds3

About dimethylamino-[5-(1,5-dimethylpyrazol-3-yl)thiophen-2-yl]methanol

dimethylamino-[5-(1,5-dimethylpyrazol-3-yl)thiophen-2-yl]methanol (PubChem CID 143534101) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is dimethylamino-[5-(1,5-dimethylpyrazol-3-yl)thiophen-2-yl]methanol.

Molecular Properties

Compound Namedimethylamino-[5-(1,5-dimethylpyrazol-3-yl)thiophen-2-yl]methanol
PubChem CID143534101
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Namedimethylamino-[5-(1,5-dimethylpyrazol-3-yl)thiophen-2-yl]methanol
SMILESCc1cc(-c2ccc(C(O)N(C)C)s2)nn1C
InChIInChI=1S/C12H17N3OS/c1-8-7-9(13-15(8)4)10-5-6-11(17-10)12(16)14(2)3/h5-7,12,16H,1-4H3
InChIKeyXXESVDIWERNOEV-UHFFFAOYSA-N
XLogP2.01
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethylamino-[5-(1,5-dimethylpyrazol-3-yl)thiophen-2-yl]methanol?
The IUPAC name of dimethylamino-[5-(1,5-dimethylpyrazol-3-yl)thiophen-2-yl]methanol (CID 143534101) is dimethylamino-[5-(1,5-dimethylpyrazol-3-yl)thiophen-2-yl]methanol.
What is the SMILES notation for dimethylamino-[5-(1,5-dimethylpyrazol-3-yl)thiophen-2-yl]methanol?
The canonical SMILES for dimethylamino-[5-(1,5-dimethylpyrazol-3-yl)thiophen-2-yl]methanol is Cc1cc(-c2ccc(C(O)N(C)C)s2)nn1C.
What is the InChIKey of dimethylamino-[5-(1,5-dimethylpyrazol-3-yl)thiophen-2-yl]methanol?
The InChIKey is XXESVDIWERNOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-8-7-9(13-15(8)4)10-5-6-11(17-10)12(16)14(2)3/h5-7,12,16H,1-4H3.
What are the key properties of dimethylamino-[5-(1,5-dimethylpyrazol-3-yl)thiophen-2-yl]methanol?
dimethylamino-[5-(1,5-dimethylpyrazol-3-yl)thiophen-2-yl]methanol has a molecular weight of 251.35 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylamino-[5-(1,5-dimethylpyrazol-3-yl)thiophen-2-yl]methanol is sourced from PubChem (CID 143534101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).