[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(3-chloro-4-methylthiophen-2-yl)methanol

C13H17Cl2N3OS — CID 103408254

IUPAC[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(3-chloro-4-methylthiophen-2-yl)methanol
SMILESCc1csc(C(O)c2c(Cl)cnn2CCN(C)C)c1Cl
InChIInChI=1S/C13H17Cl2N3OS/c1-8-7-20-13(10(8)15)12(19)11-9(14)6-16-18(11)5-4-17(2)3/h6-7,12,19H,4-5H2,1-3H3
InChIKeyAHUUKSKQSMHSGK-UHFFFAOYSA-N
MW334.27 g/mol
LogP3.20
Rot. Bonds5

About [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(3-chloro-4-methylthiophen-2-yl)methanol

[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(3-chloro-4-methylthiophen-2-yl)methanol (PubChem CID 103408254) has the molecular formula C13H17Cl2N3OS and a molecular weight of 334.27 g/mol. Its IUPAC name is [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(3-chloro-4-methylthiophen-2-yl)methanol.

Molecular Properties

Compound Name[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(3-chloro-4-methylthiophen-2-yl)methanol
PubChem CID103408254
Molecular FormulaC13H17Cl2N3OS
Molecular Weight334.27 g/mol
Exact Mass333.05
IUPAC Name[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(3-chloro-4-methylthiophen-2-yl)methanol
SMILESCc1csc(C(O)c2c(Cl)cnn2CCN(C)C)c1Cl
InChIInChI=1S/C13H17Cl2N3OS/c1-8-7-20-13(10(8)15)12(19)11-9(14)6-16-18(11)5-4-17(2)3/h6-7,12,19H,4-5H2,1-3H3
InChIKeyAHUUKSKQSMHSGK-UHFFFAOYSA-N
XLogP3.20
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.27
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-methyl-1,3-thiazol-4-yl)methanol
CID 114638404
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(3-ethylthiophen-2-yl)methanol
CID 115834330
(4-bromo-1-propylpyrazol-5-yl)-(3-chloro-4-methylthiophen-2-yl)methanol
CID 103408262
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-chloro-3-methylphenyl)methanol
CID 115834338
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2,4,5-trimethylfuran-3-yl)methanol
CID 115834242
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-chloro-4-methylphenyl)methanol
CID 106859518
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(3,6-dimethylpyridazin-4-yl)methanol
CID 105127216
(4-bromo-1-methylpyrazol-5-yl)-(3-chloro-4-methylthiophen-2-yl)methanol
CID 103408313
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2,2-dimethylpropan-1-ol
CID 114635694
(2-bromofuran-3-yl)-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanol
CID 106859519
2-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-hydroxyacetic acid
CID 114636529
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-3,3-dimethylbutan-1-ol
CID 114635725

Frequently Asked Questions

What is the IUPAC name of [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(3-chloro-4-methylthiophen-2-yl)methanol?
The IUPAC name of [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(3-chloro-4-methylthiophen-2-yl)methanol (CID 103408254) is [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(3-chloro-4-methylthiophen-2-yl)methanol.
What is the SMILES notation for [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(3-chloro-4-methylthiophen-2-yl)methanol?
The canonical SMILES for [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(3-chloro-4-methylthiophen-2-yl)methanol is Cc1csc(C(O)c2c(Cl)cnn2CCN(C)C)c1Cl.
What is the InChIKey of [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(3-chloro-4-methylthiophen-2-yl)methanol?
The InChIKey is AHUUKSKQSMHSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N3OS/c1-8-7-20-13(10(8)15)12(19)11-9(14)6-16-18(11)5-4-17(2)3/h6-7,12,19H,4-5H2,1-3H3.
What are the key properties of [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(3-chloro-4-methylthiophen-2-yl)methanol?
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(3-chloro-4-methylthiophen-2-yl)methanol has a molecular weight of 334.27 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(3-chloro-4-methylthiophen-2-yl)methanol is sourced from PubChem (CID 103408254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).