2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-(2-morpholin-4-ylethyl)amino]ethanol

C14H25ClN4O2 — CID 111781087

IUPAC2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-(2-morpholin-4-ylethyl)amino]ethanol
SMILESCc1nn(C)c(Cl)c1CN(CCO)CCN1CCOCC1
InChIInChI=1S/C14H25ClN4O2/c1-12-13(14(15)17(2)16-12)11-19(5-8-20)4-3-18-6-9-21-10-7-18/h20H,3-11H2,1-2H3
InChIKeyDRAYERGQUHLTMX-UHFFFAOYSA-N
MW316.83 g/mol
LogP0.51
Rot. Bonds7

About 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-(2-morpholin-4-ylethyl)amino]ethanol

2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-(2-morpholin-4-ylethyl)amino]ethanol (PubChem CID 111781087) has the molecular formula C14H25ClN4O2 and a molecular weight of 316.83 g/mol. Its IUPAC name is 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-(2-morpholin-4-ylethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-(2-morpholin-4-ylethyl)amino]ethanol
PubChem CID111781087
Molecular FormulaC14H25ClN4O2
Molecular Weight316.83 g/mol
Exact Mass316.17
IUPAC Name2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-(2-morpholin-4-ylethyl)amino]ethanol
SMILESCc1nn(C)c(Cl)c1CN(CCO)CCN1CCOCC1
InChIInChI=1S/C14H25ClN4O2/c1-12-13(14(15)17(2)16-12)11-19(5-8-20)4-3-18-6-9-21-10-7-18/h20H,3-11H2,1-2H3
InChIKeyDRAYERGQUHLTMX-UHFFFAOYSA-N
XLogP0.51
TPSA53.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-(2-morpholin-4-ylethyl)amino]ethanol?
The IUPAC name of 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-(2-morpholin-4-ylethyl)amino]ethanol (CID 111781087) is 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-(2-morpholin-4-ylethyl)amino]ethanol.
What is the SMILES notation for 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-(2-morpholin-4-ylethyl)amino]ethanol?
The canonical SMILES for 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-(2-morpholin-4-ylethyl)amino]ethanol is Cc1nn(C)c(Cl)c1CN(CCO)CCN1CCOCC1.
What is the InChIKey of 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-(2-morpholin-4-ylethyl)amino]ethanol?
The InChIKey is DRAYERGQUHLTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25ClN4O2/c1-12-13(14(15)17(2)16-12)11-19(5-8-20)4-3-18-6-9-21-10-7-18/h20H,3-11H2,1-2H3.
What are the key properties of 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-(2-morpholin-4-ylethyl)amino]ethanol?
2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-(2-morpholin-4-ylethyl)amino]ethanol has a molecular weight of 316.83 g/mol, XLogP of 0.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-(2-morpholin-4-ylethyl)amino]ethanol is sourced from PubChem (CID 111781087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).