(1-phenylpyrazol-4-yl)-thiophen-3-ylmethanol

C14H12N2OS — CID 61088980

IUPAC(1-phenylpyrazol-4-yl)-thiophen-3-ylmethanol
SMILESOC(c1ccsc1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C14H12N2OS/c17-14(11-6-7-18-10-11)12-8-15-16(9-12)13-4-2-1-3-5-13/h1-10,14,17H
InChIKeyWKCWTAFOMQQTDY-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.02
Rot. Bonds3

About (1-phenylpyrazol-4-yl)-thiophen-3-ylmethanol

(1-phenylpyrazol-4-yl)-thiophen-3-ylmethanol (PubChem CID 61088980) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is (1-phenylpyrazol-4-yl)-thiophen-3-ylmethanol.

Molecular Properties

Compound Name(1-phenylpyrazol-4-yl)-thiophen-3-ylmethanol
PubChem CID61088980
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC Name(1-phenylpyrazol-4-yl)-thiophen-3-ylmethanol
SMILESOC(c1ccsc1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C14H12N2OS/c17-14(11-6-7-18-10-11)12-8-15-16(9-12)13-4-2-1-3-5-13/h1-10,14,17H
InChIKeyWKCWTAFOMQQTDY-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

[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
2-[4-{[1-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-1-(3-thienylmethyl)-2-piperazinyl]ethanol
CID 16191802
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
1-(4-Fluorophenyl)-4-thiophen-2-ylpyrazole
CID 134965137
2-[4-[(1-phenyl-1H-pyrazol-4-yl)methyl]-1-(2-thienylmethyl)-2-piperazinyl]ethanol
CID 45198717
1-Phenyl-4-thiophen-3-ylpyrazole
CID 78210279
2-[[1-(4-Fluorophenyl)pyrazol-4-yl]methyl-(thiophen-2-ylmethyl)amino]ethanol
CID 16677817
2-[(5R)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-thiophen-3-ylethanol
CID 15604813
2-[(5R)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-thiophen-2-ylethanol
CID 15604814

Frequently Asked Questions

What is the IUPAC name of (1-phenylpyrazol-4-yl)-thiophen-3-ylmethanol?
The IUPAC name of (1-phenylpyrazol-4-yl)-thiophen-3-ylmethanol (CID 61088980) is (1-phenylpyrazol-4-yl)-thiophen-3-ylmethanol.
What is the SMILES notation for (1-phenylpyrazol-4-yl)-thiophen-3-ylmethanol?
The canonical SMILES for (1-phenylpyrazol-4-yl)-thiophen-3-ylmethanol is OC(c1ccsc1)c1cnn(-c2ccccc2)c1.
What is the InChIKey of (1-phenylpyrazol-4-yl)-thiophen-3-ylmethanol?
The InChIKey is WKCWTAFOMQQTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS/c17-14(11-6-7-18-10-11)12-8-15-16(9-12)13-4-2-1-3-5-13/h1-10,14,17H.
What are the key properties of (1-phenylpyrazol-4-yl)-thiophen-3-ylmethanol?
(1-phenylpyrazol-4-yl)-thiophen-3-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-3-ylmethanol is sourced from PubChem (CID 61088980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).