(2-methylthiophen-3-yl)-(5-phenyl-1H-pyrazol-4-yl)methanol

C15H14N2OS — CID 102829330

IUPAC(2-methylthiophen-3-yl)-(5-phenyl-1H-pyrazol-4-yl)methanol
SMILESCc1sccc1C(O)c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C15H14N2OS/c1-10-12(7-8-19-10)15(18)13-9-16-17-14(13)11-5-3-2-4-6-11/h2-9,15,18H,1H3,(H,16,17)
InChIKeyFONHVVNEXBYTQQ-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.53
Rot. Bonds3

About (2-methylthiophen-3-yl)-(5-phenyl-1H-pyrazol-4-yl)methanol

(2-methylthiophen-3-yl)-(5-phenyl-1H-pyrazol-4-yl)methanol (PubChem CID 102829330) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is (2-methylthiophen-3-yl)-(5-phenyl-1H-pyrazol-4-yl)methanol.

Molecular Properties

Compound Name(2-methylthiophen-3-yl)-(5-phenyl-1H-pyrazol-4-yl)methanol
PubChem CID102829330
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name(2-methylthiophen-3-yl)-(5-phenyl-1H-pyrazol-4-yl)methanol
SMILESCc1sccc1C(O)c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C15H14N2OS/c1-10-12(7-8-19-10)15(18)13-9-16-17-14(13)11-5-3-2-4-6-11/h2-9,15,18H,1H3,(H,16,17)
InChIKeyFONHVVNEXBYTQQ-UHFFFAOYSA-N
XLogP3.53
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4R)-1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-(3-methylthiophen-2-yl)piperidin-3-ol
CID 50953514
1-(3-thiophen-3-yl-1H-pyrazol-5-yl)ethane-1,2-diol
CID 155525321
(1R)-1-(4-fluorophenyl)-2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]ethanol
CID 97832308
amino-[2-methylsulfanyl-5-(1H-pyrazol-5-yl)-4-(3,3,3-trifluoropropyl)thiophen-3-yl]methanol
CID 144373812
1-Phenylmethoxy-5-thiophen-2-ylpyrazole
CID 11086368
2-(4-thiophen-3-yl-1H-pyrazol-5-yl)phenol
CID 135508215
1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
CID 46955063
4-(2-fluorophenyl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidin-4-ol
CID 46967052
4-(4-fluorophenyl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidin-4-ol
CID 46967074
3-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-(thiophen-2-ylmethyl)amino]propan-1-ol
CID 46994968
1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-thiophen-2-ylpropan-1-ol
CID 80121458
1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-4-methylsulfonylbutan-1-ol
CID 80121460

Frequently Asked Questions

What is the IUPAC name of (2-methylthiophen-3-yl)-(5-phenyl-1H-pyrazol-4-yl)methanol?
The IUPAC name of (2-methylthiophen-3-yl)-(5-phenyl-1H-pyrazol-4-yl)methanol (CID 102829330) is (2-methylthiophen-3-yl)-(5-phenyl-1H-pyrazol-4-yl)methanol.
What is the SMILES notation for (2-methylthiophen-3-yl)-(5-phenyl-1H-pyrazol-4-yl)methanol?
The canonical SMILES for (2-methylthiophen-3-yl)-(5-phenyl-1H-pyrazol-4-yl)methanol is Cc1sccc1C(O)c1cn[nH]c1-c1ccccc1.
What is the InChIKey of (2-methylthiophen-3-yl)-(5-phenyl-1H-pyrazol-4-yl)methanol?
The InChIKey is FONHVVNEXBYTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-10-12(7-8-19-10)15(18)13-9-16-17-14(13)11-5-3-2-4-6-11/h2-9,15,18H,1H3,(H,16,17).
What are the key properties of (2-methylthiophen-3-yl)-(5-phenyl-1H-pyrazol-4-yl)methanol?
(2-methylthiophen-3-yl)-(5-phenyl-1H-pyrazol-4-yl)methanol has a molecular weight of 270.36 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylthiophen-3-yl)-(5-phenyl-1H-pyrazol-4-yl)methanol is sourced from PubChem (CID 102829330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).