1-(4-bromo-1-propylpyrazol-5-yl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)methanamine

C15H27BrN4O — CID 114657862

IUPAC1-(4-bromo-1-propylpyrazol-5-yl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)methanamine
SMILESCCCn1ncc(Br)c1C(NC)C1CN(C(C)C)CCO1
InChIInChI=1S/C15H27BrN4O/c1-5-6-20-15(12(16)9-18-20)14(17-4)13-10-19(11(2)3)7-8-21-13/h9,11,13-14,17H,5-8,10H2,1-4H3
InChIKeyZRICCKGJDLUASW-UHFFFAOYSA-N
MW359.31 g/mol
LogP2.43
Rot. Bonds6

About 1-(4-bromo-1-propylpyrazol-5-yl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)methanamine

1-(4-bromo-1-propylpyrazol-5-yl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)methanamine (PubChem CID 114657862) has the molecular formula C15H27BrN4O and a molecular weight of 359.31 g/mol. Its IUPAC name is 1-(4-bromo-1-propylpyrazol-5-yl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)methanamine.

Molecular Properties

Compound Name1-(4-bromo-1-propylpyrazol-5-yl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)methanamine
PubChem CID114657862
Molecular FormulaC15H27BrN4O
Molecular Weight359.31 g/mol
Exact Mass358.14
IUPAC Name1-(4-bromo-1-propylpyrazol-5-yl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)methanamine
SMILESCCCn1ncc(Br)c1C(NC)C1CN(C(C)C)CCO1
InChIInChI=1S/C15H27BrN4O/c1-5-6-20-15(12(16)9-18-20)14(17-4)13-10-19(11(2)3)7-8-21-13/h9,11,13-14,17H,5-8,10H2,1-4H3
InChIKeyZRICCKGJDLUASW-UHFFFAOYSA-N
XLogP2.43
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine
CID 114657829
(4-bromo-1-propylpyrazol-5-yl)-(4-methylmorpholin-2-yl)methanol
CID 114644622
1-(4-bromo-1-propylpyrazol-5-yl)-1-(3-ethyl-1,4-dithian-2-yl)-N-methylmethanamine
CID 114659583
2-[4-bromo-5-[1,4-dioxan-2-yl(methylamino)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105041124
1-(4-bromo-1-propylpyrazol-5-yl)-N-methyl-1-(3-methylcyclopentyl)methanamine
CID 114655664
(4-propan-2-ylmorpholin-2-yl)-(2-propylpyrazol-3-yl)methanamine
CID 79664704
[(4-chloro-1-propylpyrazol-5-yl)-(4-methylmorpholin-2-yl)methyl]hydrazine
CID 105244342
N-[(4-chloro-1-propylpyrazol-5-yl)-(4-methylmorpholin-2-yl)methyl]ethanamine
CID 114657209
N-[(4-bromo-1-methylpyrazol-5-yl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 114657225
N-[(2-methylpyrazol-3-yl)-(4-propan-2-ylmorpholin-2-yl)methyl]propan-1-amine
CID 79662895
[(4-bromo-1-propylpyrazol-5-yl)-(3-methyloxolan-2-yl)methyl]hydrazine
CID 105336709
N-[(1-ethylpyrazol-4-yl)-(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine
CID 79663131

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-propylpyrazol-5-yl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)methanamine?
The IUPAC name of 1-(4-bromo-1-propylpyrazol-5-yl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)methanamine (CID 114657862) is 1-(4-bromo-1-propylpyrazol-5-yl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)methanamine.
What is the SMILES notation for 1-(4-bromo-1-propylpyrazol-5-yl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)methanamine?
The canonical SMILES for 1-(4-bromo-1-propylpyrazol-5-yl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)methanamine is CCCn1ncc(Br)c1C(NC)C1CN(C(C)C)CCO1.
What is the InChIKey of 1-(4-bromo-1-propylpyrazol-5-yl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)methanamine?
The InChIKey is ZRICCKGJDLUASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27BrN4O/c1-5-6-20-15(12(16)9-18-20)14(17-4)13-10-19(11(2)3)7-8-21-13/h9,11,13-14,17H,5-8,10H2,1-4H3.
What are the key properties of 1-(4-bromo-1-propylpyrazol-5-yl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)methanamine?
1-(4-bromo-1-propylpyrazol-5-yl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)methanamine has a molecular weight of 359.31 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-propylpyrazol-5-yl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)methanamine is sourced from PubChem (CID 114657862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).