(2,5-dichlorothiophen-3-yl)-(1-phenylpyrazol-4-yl)methanol

C14H10Cl2N2OS — CID 107964170

IUPAC(2,5-dichlorothiophen-3-yl)-(1-phenylpyrazol-4-yl)methanol
SMILESOC(c1cnn(-c2ccccc2)c1)c1cc(Cl)sc1Cl
InChIInChI=1S/C14H10Cl2N2OS/c15-12-6-11(14(16)20-12)13(19)9-7-17-18(8-9)10-4-2-1-3-5-10/h1-8,13,19H
InChIKeyAQAHBZUBVGPMQZ-UHFFFAOYSA-N
MW325.22 g/mol
LogP4.32
Rot. Bonds3

About (2,5-dichlorothiophen-3-yl)-(1-phenylpyrazol-4-yl)methanol

(2,5-dichlorothiophen-3-yl)-(1-phenylpyrazol-4-yl)methanol (PubChem CID 107964170) has the molecular formula C14H10Cl2N2OS and a molecular weight of 325.22 g/mol. Its IUPAC name is (2,5-dichlorothiophen-3-yl)-(1-phenylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(2,5-dichlorothiophen-3-yl)-(1-phenylpyrazol-4-yl)methanol
PubChem CID107964170
Molecular FormulaC14H10Cl2N2OS
Molecular Weight325.22 g/mol
Exact Mass323.99
IUPAC Name(2,5-dichlorothiophen-3-yl)-(1-phenylpyrazol-4-yl)methanol
SMILESOC(c1cnn(-c2ccccc2)c1)c1cc(Cl)sc1Cl
InChIInChI=1S/C14H10Cl2N2OS/c15-12-6-11(14(16)20-12)13(19)9-7-17-18(8-9)10-4-2-1-3-5-10/h1-8,13,19H
InChIKeyAQAHBZUBVGPMQZ-UHFFFAOYSA-N
XLogP4.32
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.22
LogP ≤ 54.32
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-(3-chlorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-4-piperidinyl)(2-thienyl)methanol
CID 16191395
2-[[1-(4-Fluorophenyl)pyrazol-4-yl]methylamino]-1-thiophen-3-ylethanol
CID 111440364
(R)-[(4aR,5S)-4a-methyl-1-(4-methylphenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indazol-5-yl]-(2,5-dichlorothiophen-3-yl)methanol
CID 142819652
[3-(5-Chlorothiophen-2-yl)-1-phenylpyrazol-4-yl]methanol
CID 164073771
(R)-[1-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]piperidin-4-yl]-thiophen-2-ylmethanol
CID 25811216
(S)-[1-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]piperidin-4-yl]-thiophen-2-ylmethanol
CID 25811220
(5-Bromothiophen-2-yl)-(1-phenylpyrazol-4-yl)methanol
CID 61088977
(1-Phenylpyrazol-4-yl)-thiophen-3-ylmethanol
CID 61088980
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(1-phenylpyrazol-4-yl)methanol
CID 61089156
(1-Phenylpyrazol-4-yl)-thiophen-2-ylmethanol
CID 61089322
(5-Methylthiophen-2-yl)-(1-phenylpyrazol-4-yl)methanol
CID 61089323

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorothiophen-3-yl)-(1-phenylpyrazol-4-yl)methanol?
The IUPAC name of (2,5-dichlorothiophen-3-yl)-(1-phenylpyrazol-4-yl)methanol (CID 107964170) is (2,5-dichlorothiophen-3-yl)-(1-phenylpyrazol-4-yl)methanol.
What is the SMILES notation for (2,5-dichlorothiophen-3-yl)-(1-phenylpyrazol-4-yl)methanol?
The canonical SMILES for (2,5-dichlorothiophen-3-yl)-(1-phenylpyrazol-4-yl)methanol is OC(c1cnn(-c2ccccc2)c1)c1cc(Cl)sc1Cl.
What is the InChIKey of (2,5-dichlorothiophen-3-yl)-(1-phenylpyrazol-4-yl)methanol?
The InChIKey is AQAHBZUBVGPMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2OS/c15-12-6-11(14(16)20-12)13(19)9-7-17-18(8-9)10-4-2-1-3-5-10/h1-8,13,19H.
What are the key properties of (2,5-dichlorothiophen-3-yl)-(1-phenylpyrazol-4-yl)methanol?
(2,5-dichlorothiophen-3-yl)-(1-phenylpyrazol-4-yl)methanol has a molecular weight of 325.22 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorothiophen-3-yl)-(1-phenylpyrazol-4-yl)methanol is sourced from PubChem (CID 107964170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).