(1-phenylpyrazol-4-yl)-thiophen-2-ylmethanol

C14H12N2OS — CID 61089322

IUPAC(1-phenylpyrazol-4-yl)-thiophen-2-ylmethanol
SMILESOC(c1cnn(-c2ccccc2)c1)c1cccs1
InChIInChI=1S/C14H12N2OS/c17-14(13-7-4-8-18-13)11-9-15-16(10-11)12-5-2-1-3-6-12/h1-10,14,17H
InChIKeyQTNOQJJMEWYIJG-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.02
Rot. Bonds3

About (1-phenylpyrazol-4-yl)-thiophen-2-ylmethanol

(1-phenylpyrazol-4-yl)-thiophen-2-ylmethanol (PubChem CID 61089322) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is (1-phenylpyrazol-4-yl)-thiophen-2-ylmethanol.

Molecular Properties

Compound Name(1-phenylpyrazol-4-yl)-thiophen-2-ylmethanol
PubChem CID61089322
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC Name(1-phenylpyrazol-4-yl)-thiophen-2-ylmethanol
SMILESOC(c1cnn(-c2ccccc2)c1)c1cccs1
InChIInChI=1S/C14H12N2OS/c17-14(13-7-4-8-18-13)11-9-15-16(10-11)12-5-2-1-3-6-12/h1-10,14,17H
InChIKeyQTNOQJJMEWYIJG-UHFFFAOYSA-N
XLogP3.02
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.02
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
3-(1-Phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl)acrylic acid
CID 876549
(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}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
2-[[3-(1H-pyrazol-1-yl)benzyl](2-thienylmethyl)amino]butan-1-ol
CID 46985211
2-[Benzyl-[(1-methylpyrazol-4-yl)methyl]amino]-1-thiophen-2-ylethanol
CID 75425683

Frequently Asked Questions

What is the IUPAC name of (1-phenylpyrazol-4-yl)-thiophen-2-ylmethanol?
The IUPAC name of (1-phenylpyrazol-4-yl)-thiophen-2-ylmethanol (CID 61089322) is (1-phenylpyrazol-4-yl)-thiophen-2-ylmethanol.
What is the SMILES notation for (1-phenylpyrazol-4-yl)-thiophen-2-ylmethanol?
The canonical SMILES for (1-phenylpyrazol-4-yl)-thiophen-2-ylmethanol is OC(c1cnn(-c2ccccc2)c1)c1cccs1.
What is the InChIKey of (1-phenylpyrazol-4-yl)-thiophen-2-ylmethanol?
The InChIKey is QTNOQJJMEWYIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS/c17-14(13-7-4-8-18-13)11-9-15-16(10-11)12-5-2-1-3-6-12/h1-10,14,17H.
What are the key properties of (1-phenylpyrazol-4-yl)-thiophen-2-ylmethanol?
(1-phenylpyrazol-4-yl)-thiophen-2-ylmethanol has a molecular weight of 256.33 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenylpyrazol-4-yl)-thiophen-2-ylmethanol is sourced from PubChem (CID 61089322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).