(5-methylthiophen-2-yl)-(1-phenylpyrazol-4-yl)methanol

C15H14N2OS — CID 61089323

IUPAC(5-methylthiophen-2-yl)-(1-phenylpyrazol-4-yl)methanol
SMILESCc1ccc(C(O)c2cnn(-c3ccccc3)c2)s1
InChIInChI=1S/C15H14N2OS/c1-11-7-8-14(19-11)15(18)12-9-16-17(10-12)13-5-3-2-4-6-13/h2-10,15,18H,1H3
InChIKeyUFXANZDFJBYADX-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.32
Rot. Bonds3

About (5-methylthiophen-2-yl)-(1-phenylpyrazol-4-yl)methanol

(5-methylthiophen-2-yl)-(1-phenylpyrazol-4-yl)methanol (PubChem CID 61089323) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is (5-methylthiophen-2-yl)-(1-phenylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(5-methylthiophen-2-yl)-(1-phenylpyrazol-4-yl)methanol
PubChem CID61089323
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name(5-methylthiophen-2-yl)-(1-phenylpyrazol-4-yl)methanol
SMILESCc1ccc(C(O)c2cnn(-c3ccccc3)c2)s1
InChIInChI=1S/C15H14N2OS/c1-11-7-8-14(19-11)15(18)12-9-16-17(10-12)13-5-3-2-4-6-13/h2-10,15,18H,1H3
InChIKeyUFXANZDFJBYADX-UHFFFAOYSA-N
XLogP3.32
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4aH,5H,6H,7H,8H-cyclohexa[f]indazol-5-yl](thiophen-3-yl)methanol
CID 10475742
(R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4aH,5H,6H,7H-cyclopenta[f]indazol-5-yl](thiophen-3-yl)methanol
CID 10317646
(S)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4aH,5H,6H,7H-cyclopenta[f]indazol-5-yl](thiophen-3-yl)methanol
CID 10407417
(R)-[(4aR,5S)-1-(4-Fluoro-phenyl)-4a-methyl-4,4a,5,6,7,8-hexahydro-1H-benzo[f]indazol-5-yl]-thiophen-2-yl-methanol
CID 44402151
[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methanol
CID 740214
(1-{[3-(2,5-dimethyl-3-thienyl)-1-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl}-3-piperidinyl)methanol
CID 16187215
1-{[3-(2,5-dimethyl-3-thienyl)-1-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl}piperidin-4-ol
CID 16188414
(1-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}piperidin-4-yl)(2-thienyl)methanol
CID 16190164
3-[{[3-(2,5-dimethyl-3-thienyl)-1-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl}(methyl)amino]propane-1,2-diol
CID 16190402
(R)-[(4aR,5S)-4a-methyl-1-(4-methylphenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indazol-5-yl]-thiophen-3-ylmethanol
CID 164627656
1-{[3-(2,5-dimethyl-3-thienyl)-1-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl}-3-piperidinol
CID 16189223
2-[Benzyl-[(1-methylpyrazol-4-yl)methyl]amino]-1-thiophen-2-ylethanol
CID 75425683

Frequently Asked Questions

What is the IUPAC name of (5-methylthiophen-2-yl)-(1-phenylpyrazol-4-yl)methanol?
The IUPAC name of (5-methylthiophen-2-yl)-(1-phenylpyrazol-4-yl)methanol (CID 61089323) is (5-methylthiophen-2-yl)-(1-phenylpyrazol-4-yl)methanol.
What is the SMILES notation for (5-methylthiophen-2-yl)-(1-phenylpyrazol-4-yl)methanol?
The canonical SMILES for (5-methylthiophen-2-yl)-(1-phenylpyrazol-4-yl)methanol is Cc1ccc(C(O)c2cnn(-c3ccccc3)c2)s1.
What is the InChIKey of (5-methylthiophen-2-yl)-(1-phenylpyrazol-4-yl)methanol?
The InChIKey is UFXANZDFJBYADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-11-7-8-14(19-11)15(18)12-9-16-17(10-12)13-5-3-2-4-6-13/h2-10,15,18H,1H3.
What are the key properties of (5-methylthiophen-2-yl)-(1-phenylpyrazol-4-yl)methanol?
(5-methylthiophen-2-yl)-(1-phenylpyrazol-4-yl)methanol has a molecular weight of 270.36 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylthiophen-2-yl)-(1-phenylpyrazol-4-yl)methanol is sourced from PubChem (CID 61089323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).