N-[(4-chloro-1-ethylpyrazol-5-yl)-(4-methylmorpholin-2-yl)methyl]ethanamine

C13H23ClN4O — CID 114657208

IUPACN-[(4-chloro-1-ethylpyrazol-5-yl)-(4-methylmorpholin-2-yl)methyl]ethanamine
SMILESCCNC(c1c(Cl)cnn1CC)C1CN(C)CCO1
InChIInChI=1S/C13H23ClN4O/c1-4-15-12(11-9-17(3)6-7-19-11)13-10(14)8-16-18(13)5-2/h8,11-12,15H,4-7,9H2,1-3H3
InChIKeyZYUSPCZTAKRQKG-UHFFFAOYSA-N
MW286.81 g/mol
LogP1.54
Rot. Bonds5

About N-[(4-chloro-1-ethylpyrazol-5-yl)-(4-methylmorpholin-2-yl)methyl]ethanamine

N-[(4-chloro-1-ethylpyrazol-5-yl)-(4-methylmorpholin-2-yl)methyl]ethanamine (PubChem CID 114657208) has the molecular formula C13H23ClN4O and a molecular weight of 286.81 g/mol. Its IUPAC name is N-[(4-chloro-1-ethylpyrazol-5-yl)-(4-methylmorpholin-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-chloro-1-ethylpyrazol-5-yl)-(4-methylmorpholin-2-yl)methyl]ethanamine
PubChem CID114657208
Molecular FormulaC13H23ClN4O
Molecular Weight286.81 g/mol
Exact Mass286.16
IUPAC NameN-[(4-chloro-1-ethylpyrazol-5-yl)-(4-methylmorpholin-2-yl)methyl]ethanamine
SMILESCCNC(c1c(Cl)cnn1CC)C1CN(C)CCO1
InChIInChI=1S/C13H23ClN4O/c1-4-15-12(11-9-17(3)6-7-19-11)13-10(14)8-16-18(13)5-2/h8,11-12,15H,4-7,9H2,1-3H3
InChIKeyZYUSPCZTAKRQKG-UHFFFAOYSA-N
XLogP1.54
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chloro-1-propylpyrazol-5-yl)-(4-methylmorpholin-2-yl)methyl]ethanamine
CID 114657209
[(4-chloro-1-propylpyrazol-5-yl)-(4-methylmorpholin-2-yl)methyl]hydrazine
CID 105244342
N-[(1-ethyl-4-methoxypyrazol-5-yl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 114657219
1-(2-ethylpyrazol-3-yl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine
CID 79092954
N-[(4-chloro-1-ethylpyrazol-5-yl)-(oxolan-3-yl)methyl]ethanamine
CID 114654751
1-(4-chloro-1-ethylpyrazol-5-yl)-N-methyl-1-(oxolan-2-yl)methanamine
CID 114654609
N-[(2,3-dichlorophenyl)-(4-methylmorpholin-2-yl)methyl]ethanamine
CID 79093846
1-(4-chloro-1-ethylpyrazol-5-yl)-N-methyl-1-(oxan-2-yl)methanamine
CID 105040813
N-[(4-methylmorpholin-2-yl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 114688442
2-[4-chloro-5-[ethylamino(1,4-oxathian-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114658118
(4-chloro-1-ethylpyrazol-5-yl)-(4-ethylmorpholin-2-yl)methanamine
CID 114657772
N-[furan-3-yl-(4-methylmorpholin-2-yl)methyl]ethanamine
CID 79093754

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-ethylpyrazol-5-yl)-(4-methylmorpholin-2-yl)methyl]ethanamine?
The IUPAC name of N-[(4-chloro-1-ethylpyrazol-5-yl)-(4-methylmorpholin-2-yl)methyl]ethanamine (CID 114657208) is N-[(4-chloro-1-ethylpyrazol-5-yl)-(4-methylmorpholin-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-chloro-1-ethylpyrazol-5-yl)-(4-methylmorpholin-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-chloro-1-ethylpyrazol-5-yl)-(4-methylmorpholin-2-yl)methyl]ethanamine is CCNC(c1c(Cl)cnn1CC)C1CN(C)CCO1.
What is the InChIKey of N-[(4-chloro-1-ethylpyrazol-5-yl)-(4-methylmorpholin-2-yl)methyl]ethanamine?
The InChIKey is ZYUSPCZTAKRQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23ClN4O/c1-4-15-12(11-9-17(3)6-7-19-11)13-10(14)8-16-18(13)5-2/h8,11-12,15H,4-7,9H2,1-3H3.
What are the key properties of N-[(4-chloro-1-ethylpyrazol-5-yl)-(4-methylmorpholin-2-yl)methyl]ethanamine?
N-[(4-chloro-1-ethylpyrazol-5-yl)-(4-methylmorpholin-2-yl)methyl]ethanamine has a molecular weight of 286.81 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-ethylpyrazol-5-yl)-(4-methylmorpholin-2-yl)methyl]ethanamine is sourced from PubChem (CID 114657208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).