(4-chloro-1-ethylpyrazol-5-yl)-(4-ethylmorpholin-2-yl)methanamine

C12H21ClN4O — CID 114657772

IUPAC(4-chloro-1-ethylpyrazol-5-yl)-(4-ethylmorpholin-2-yl)methanamine
SMILESCCN1CCOC(C(N)c2c(Cl)cnn2CC)C1
InChIInChI=1S/C12H21ClN4O/c1-3-16-5-6-18-10(8-16)11(14)12-9(13)7-15-17(12)4-2/h7,10-11H,3-6,8,14H2,1-2H3
InChIKeyGWFUJLJSWGQQSG-UHFFFAOYSA-N
MW272.78 g/mol
LogP1.28
Rot. Bonds4

About (4-chloro-1-ethylpyrazol-5-yl)-(4-ethylmorpholin-2-yl)methanamine

(4-chloro-1-ethylpyrazol-5-yl)-(4-ethylmorpholin-2-yl)methanamine (PubChem CID 114657772) has the molecular formula C12H21ClN4O and a molecular weight of 272.78 g/mol. Its IUPAC name is (4-chloro-1-ethylpyrazol-5-yl)-(4-ethylmorpholin-2-yl)methanamine.

Molecular Properties

Compound Name(4-chloro-1-ethylpyrazol-5-yl)-(4-ethylmorpholin-2-yl)methanamine
PubChem CID114657772
Molecular FormulaC12H21ClN4O
Molecular Weight272.78 g/mol
Exact Mass272.14
IUPAC Name(4-chloro-1-ethylpyrazol-5-yl)-(4-ethylmorpholin-2-yl)methanamine
SMILESCCN1CCOC(C(N)c2c(Cl)cnn2CC)C1
InChIInChI=1S/C12H21ClN4O/c1-3-16-5-6-18-10(8-16)11(14)12-9(13)7-15-17(12)4-2/h7,10-11H,3-6,8,14H2,1-2H3
InChIKeyGWFUJLJSWGQQSG-UHFFFAOYSA-N
XLogP1.28
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1-ethyl-4-methoxypyrazol-5-yl)-(4-propylmorpholin-2-yl)methanamine
CID 114657813
1-(1-ethyl-4-methoxypyrazol-5-yl)-1-(4-ethylmorpholin-2-yl)-N-methylmethanamine
CID 114657785
N-[(4-chloro-1-ethylpyrazol-5-yl)-(4-methylmorpholin-2-yl)methyl]ethanamine
CID 114657208
(4-chloro-1-ethylpyrazol-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 105040745
(4-ethylmorpholin-2-yl)-(6-methyl-3-pyridinyl)methanamine
CID 79667032
(3,5-dimethylphenyl)-(4-ethylmorpholin-2-yl)methanamine
CID 79667280
(4-chloro-1-ethylpyrazol-5-yl)-(4-ethylmorpholin-2-yl)methanone
CID 114641456
4,5-dichloro-2-[(4-ethylmorpholin-2-yl)methyl]pyridazin-3-one
CID 114386480
[(4-ethylmorpholin-2-yl)-(2-ethylpyrazol-3-yl)methyl]hydrazine
CID 105247627
(4-ethylmorpholin-2-yl)-(3-phenyltriazol-4-yl)methanamine
CID 114688550
(7-chloro-1-benzofuran-2-yl)-(4-ethylmorpholin-2-yl)methanamine
CID 114729902
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-chloro-1-propylpyrazol-5-yl)methanamine
CID 114657291

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-(4-ethylmorpholin-2-yl)methanamine?
The IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-(4-ethylmorpholin-2-yl)methanamine (CID 114657772) is (4-chloro-1-ethylpyrazol-5-yl)-(4-ethylmorpholin-2-yl)methanamine.
What is the SMILES notation for (4-chloro-1-ethylpyrazol-5-yl)-(4-ethylmorpholin-2-yl)methanamine?
The canonical SMILES for (4-chloro-1-ethylpyrazol-5-yl)-(4-ethylmorpholin-2-yl)methanamine is CCN1CCOC(C(N)c2c(Cl)cnn2CC)C1.
What is the InChIKey of (4-chloro-1-ethylpyrazol-5-yl)-(4-ethylmorpholin-2-yl)methanamine?
The InChIKey is GWFUJLJSWGQQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN4O/c1-3-16-5-6-18-10(8-16)11(14)12-9(13)7-15-17(12)4-2/h7,10-11H,3-6,8,14H2,1-2H3.
What are the key properties of (4-chloro-1-ethylpyrazol-5-yl)-(4-ethylmorpholin-2-yl)methanamine?
(4-chloro-1-ethylpyrazol-5-yl)-(4-ethylmorpholin-2-yl)methanamine has a molecular weight of 272.78 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-ethylpyrazol-5-yl)-(4-ethylmorpholin-2-yl)methanamine is sourced from PubChem (CID 114657772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).