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

C13H23ClN4O2 — CID 114644706

IUPAC[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,4-dimethylpiperazin-2-yl)methanol
SMILESCOCCn1ncc(Cl)c1C(O)C1CN(C)CCN1C
InChIInChI=1S/C13H23ClN4O2/c1-16-4-5-17(2)11(9-16)13(19)12-10(14)8-15-18(12)6-7-20-3/h8,11,13,19H,4-7,9H2,1-3H3
InChIKeyOTZRJSGNIUNCPP-UHFFFAOYSA-N
MW302.81 g/mol
LogP0.46
Rot. Bonds5

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

[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,4-dimethylpiperazin-2-yl)methanol (PubChem CID 114644706) has the molecular formula C13H23ClN4O2 and a molecular weight of 302.81 g/mol. Its IUPAC name is [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,4-dimethylpiperazin-2-yl)methanol.

Molecular Properties

Compound Name[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,4-dimethylpiperazin-2-yl)methanol
PubChem CID114644706
Molecular FormulaC13H23ClN4O2
Molecular Weight302.81 g/mol
Exact Mass302.15
IUPAC Name[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,4-dimethylpiperazin-2-yl)methanol
SMILESCOCCn1ncc(Cl)c1C(O)C1CN(C)CCN1C
InChIInChI=1S/C13H23ClN4O2/c1-16-4-5-17(2)11(9-16)13(19)12-10(14)8-15-18(12)6-7-20-3/h8,11,13,19H,4-7,9H2,1-3H3
InChIKeyOTZRJSGNIUNCPP-UHFFFAOYSA-N
XLogP0.46
TPSA53.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-bicyclo[4.1.0]heptanyl-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol
CID 115839462
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-cyclopropylethanol
CID 114644981
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-methylpropan-1-ol
CID 114634657
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3-(2-methoxyethoxy)propan-1-ol
CID 102927629
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-4-methoxypentan-1-ol
CID 105132601
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dihydro-1-benzothiophen-2-yl)methanol
CID 105132699
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3-methoxybutan-1-ol
CID 114645459
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-cyclopentylsulfanylethanol
CID 114643886
[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine
CID 105249908
(4-bromo-1-methylpyrazol-5-yl)-(1,4-dimethylpiperazin-2-yl)methanol
CID 114644712
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3-methylpentan-1-ol
CID 115839361
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1-methylcyclopropyl)methanamine
CID 114658538

Frequently Asked Questions

What is the IUPAC name of [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,4-dimethylpiperazin-2-yl)methanol?
The IUPAC name of [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,4-dimethylpiperazin-2-yl)methanol (CID 114644706) is [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,4-dimethylpiperazin-2-yl)methanol.
What is the SMILES notation for [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,4-dimethylpiperazin-2-yl)methanol?
The canonical SMILES for [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,4-dimethylpiperazin-2-yl)methanol is COCCn1ncc(Cl)c1C(O)C1CN(C)CCN1C.
What is the InChIKey of [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,4-dimethylpiperazin-2-yl)methanol?
The InChIKey is OTZRJSGNIUNCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23ClN4O2/c1-16-4-5-17(2)11(9-16)13(19)12-10(14)8-15-18(12)6-7-20-3/h8,11,13,19H,4-7,9H2,1-3H3.
What are the key properties of [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,4-dimethylpiperazin-2-yl)methanol?
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,4-dimethylpiperazin-2-yl)methanol has a molecular weight of 302.81 g/mol, XLogP of 0.46, 5 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]-(1,4-dimethylpiperazin-2-yl)methanol is sourced from PubChem (CID 114644706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).