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

C14H25ClN4O — CID 114657209

IUPACN-[(4-chloro-1-propylpyrazol-5-yl)-(4-methylmorpholin-2-yl)methyl]ethanamine
SMILESCCCn1ncc(Cl)c1C(NCC)C1CN(C)CCO1
InChIInChI=1S/C14H25ClN4O/c1-4-6-19-14(11(15)9-17-19)13(16-5-2)12-10-18(3)7-8-20-12/h9,12-13,16H,4-8,10H2,1-3H3
InChIKeyZQJWAZUQOBZPNT-UHFFFAOYSA-N
MW300.83 g/mol
LogP1.93
Rot. Bonds6

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

N-[(4-chloro-1-propylpyrazol-5-yl)-(4-methylmorpholin-2-yl)methyl]ethanamine (PubChem CID 114657209) has the molecular formula C14H25ClN4O and a molecular weight of 300.83 g/mol. Its IUPAC name is N-[(4-chloro-1-propylpyrazol-5-yl)-(4-methylmorpholin-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-chloro-1-propylpyrazol-5-yl)-(4-methylmorpholin-2-yl)methyl]ethanamine
PubChem CID114657209
Molecular FormulaC14H25ClN4O
Molecular Weight300.83 g/mol
Exact Mass300.17
IUPAC NameN-[(4-chloro-1-propylpyrazol-5-yl)-(4-methylmorpholin-2-yl)methyl]ethanamine
SMILESCCCn1ncc(Cl)c1C(NCC)C1CN(C)CCO1
InChIInChI=1S/C14H25ClN4O/c1-4-6-19-14(11(15)9-17-19)13(16-5-2)12-10-18(3)7-8-20-12/h9,12-13,16H,4-8,10H2,1-3H3
InChIKeyZQJWAZUQOBZPNT-UHFFFAOYSA-N
XLogP1.93
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chloro-1-ethylpyrazol-5-yl)-(4-methylmorpholin-2-yl)methyl]ethanamine
CID 114657208
[(4-chloro-1-propylpyrazol-5-yl)-(4-methylmorpholin-2-yl)methyl]hydrazine
CID 105244342
N-[(4-methylmorpholin-2-yl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 114688442
N-[(4-chloro-1-propylpyrazol-5-yl)-(2,2-dimethylcyclopropyl)methyl]ethanamine
CID 107005025
N-[6-bicyclo[3.1.0]hexanyl-(4-chloro-1-propylpyrazol-5-yl)methyl]ethanamine
CID 105042723
2-[4-chloro-5-[ethylamino(1,4-oxathian-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114658118
N-[(2,3-dichlorophenyl)-(4-methylmorpholin-2-yl)methyl]ethanamine
CID 79093846
(4-bromo-1-propylpyrazol-5-yl)-(4-methylmorpholin-2-yl)methanol
CID 114644622
N-[(1-ethyl-4-methoxypyrazol-5-yl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 114657219
N-[(4-bromo-1-methylpyrazol-5-yl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 114657225
1-(4-chloro-1-propylpyrazol-5-yl)-N-ethyl-2-(oxolan-2-yl)ethanamine
CID 114647464
N-[(4-chloro-1-propylpyrazol-5-yl)-(oxan-4-yl)methyl]propan-1-amine
CID 114654894

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-propylpyrazol-5-yl)-(4-methylmorpholin-2-yl)methyl]ethanamine?
The IUPAC name of N-[(4-chloro-1-propylpyrazol-5-yl)-(4-methylmorpholin-2-yl)methyl]ethanamine (CID 114657209) is N-[(4-chloro-1-propylpyrazol-5-yl)-(4-methylmorpholin-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-chloro-1-propylpyrazol-5-yl)-(4-methylmorpholin-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-chloro-1-propylpyrazol-5-yl)-(4-methylmorpholin-2-yl)methyl]ethanamine is CCCn1ncc(Cl)c1C(NCC)C1CN(C)CCO1.
What is the InChIKey of N-[(4-chloro-1-propylpyrazol-5-yl)-(4-methylmorpholin-2-yl)methyl]ethanamine?
The InChIKey is ZQJWAZUQOBZPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25ClN4O/c1-4-6-19-14(11(15)9-17-19)13(16-5-2)12-10-18(3)7-8-20-12/h9,12-13,16H,4-8,10H2,1-3H3.
What are the key properties of N-[(4-chloro-1-propylpyrazol-5-yl)-(4-methylmorpholin-2-yl)methyl]ethanamine?
N-[(4-chloro-1-propylpyrazol-5-yl)-(4-methylmorpholin-2-yl)methyl]ethanamine has a molecular weight of 300.83 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-propylpyrazol-5-yl)-(4-methylmorpholin-2-yl)methyl]ethanamine is sourced from PubChem (CID 114657209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).