[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-methoxythiophen-2-yl)methanol

C12H15ClN2O3S — CID 115839360

IUPAC[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-methoxythiophen-2-yl)methanol
SMILESCOCCn1ncc(Cl)c1C(O)c1cc(OC)cs1
InChIInChI=1S/C12H15ClN2O3S/c1-17-4-3-15-11(9(13)6-14-15)12(16)10-5-8(18-2)7-19-10/h5-7,12,16H,3-4H2,1-2H3
InChIKeyUGFJHBDBBFBMDB-UHFFFAOYSA-N
MW302.78 g/mol
LogP2.33
Rot. Bonds6

About [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-methoxythiophen-2-yl)methanol

[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-methoxythiophen-2-yl)methanol (PubChem CID 115839360) has the molecular formula C12H15ClN2O3S and a molecular weight of 302.78 g/mol. Its IUPAC name is [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-methoxythiophen-2-yl)methanol.

Molecular Properties

Compound Name[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-methoxythiophen-2-yl)methanol
PubChem CID115839360
Molecular FormulaC12H15ClN2O3S
Molecular Weight302.78 g/mol
Exact Mass302.05
IUPAC Name[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-methoxythiophen-2-yl)methanol
SMILESCOCCn1ncc(Cl)c1C(O)c1cc(OC)cs1
InChIInChI=1S/C12H15ClN2O3S/c1-17-4-3-15-11(9(13)6-14-15)12(16)10-5-8(18-2)7-19-10/h5-7,12,16H,3-4H2,1-2H3
InChIKeyUGFJHBDBBFBMDB-UHFFFAOYSA-N
XLogP2.33
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.78
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3,5-dimethyl-2-pyridinyl)methanol
CID 114645430
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(thiadiazol-4-yl)methanol
CID 105132660
2-[5-[amino-(4-methoxythiophen-2-yl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 105039133
[(4-chloro-1-propylpyrazol-5-yl)-(4-methoxythiophen-2-yl)methyl]hydrazine
CID 105337261
N-[(4-chloro-1-propylpyrazol-5-yl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine
CID 105042627
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-methylpropan-1-ol
CID 114634657
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3-methoxy-4-methylphenyl)methanol
CID 115839458
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-fluorophenyl)methanol
CID 114634599
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,5-dimethylpyrazol-4-yl)methanol
CID 114636774
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(6-chloro-3-pyridinyl)methanol
CID 114644952
(4-bromo-2,6-difluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol
CID 115839349
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-pyrazin-2-ylmethanol
CID 114643021

Frequently Asked Questions

What is the IUPAC name of [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-methoxythiophen-2-yl)methanol?
The IUPAC name of [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-methoxythiophen-2-yl)methanol (CID 115839360) is [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-methoxythiophen-2-yl)methanol.
What is the SMILES notation for [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-methoxythiophen-2-yl)methanol?
The canonical SMILES for [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-methoxythiophen-2-yl)methanol is COCCn1ncc(Cl)c1C(O)c1cc(OC)cs1.
What is the InChIKey of [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-methoxythiophen-2-yl)methanol?
The InChIKey is UGFJHBDBBFBMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3S/c1-17-4-3-15-11(9(13)6-14-15)12(16)10-5-8(18-2)7-19-10/h5-7,12,16H,3-4H2,1-2H3.
What are the key properties of [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-methoxythiophen-2-yl)methanol?
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-methoxythiophen-2-yl)methanol has a molecular weight of 302.78 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-methoxythiophen-2-yl)methanol is sourced from PubChem (CID 115839360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).