1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine

C15H27BrN4O — CID 114657829

IUPAC1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine
SMILESCCCN1CCOC(C(NC)c2c(Br)cnn2C(C)C)C1
InChIInChI=1S/C15H27BrN4O/c1-5-6-19-7-8-21-13(10-19)14(17-4)15-12(16)9-18-20(15)11(2)3/h9,11,13-14,17H,5-8,10H2,1-4H3
InChIKeyIXRUKVVTENJEHP-UHFFFAOYSA-N
MW359.31 g/mol
LogP2.60
Rot. Bonds6

About 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine

1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine (PubChem CID 114657829) has the molecular formula C15H27BrN4O and a molecular weight of 359.31 g/mol. Its IUPAC name is 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine.

Molecular Properties

Compound Name1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine
PubChem CID114657829
Molecular FormulaC15H27BrN4O
Molecular Weight359.31 g/mol
Exact Mass358.14
IUPAC Name1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine
SMILESCCCN1CCOC(C(NC)c2c(Br)cnn2C(C)C)C1
InChIInChI=1S/C15H27BrN4O/c1-5-6-19-7-8-21-13(10-19)14(17-4)15-12(16)9-18-20(15)11(2)3/h9,11,13-14,17H,5-8,10H2,1-4H3
InChIKeyIXRUKVVTENJEHP-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-bromo-1-propylpyrazol-5-yl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)methanamine
CID 114657862
1-(4-bromothiophen-3-yl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine
CID 79675911
1-(3-bromo-2-fluorophenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine
CID 106645880
N-methyl-1-(4-methylphenyl)-1-(4-propylmorpholin-2-yl)methanamine
CID 79657622
N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1,4-dioxan-2-yl)methyl]propan-1-amine
CID 105042381
1-(5-bromo-2-fluorophenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine
CID 79739511
1-(4-methoxyphenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine
CID 79658250
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 114649211
1-(5-bromo-3-methyltriazol-4-yl)-1-(4-ethylmorpholin-2-yl)-N-methylmethanamine
CID 106462722
[(1-ethylpyrazol-4-yl)-(4-propylmorpholin-2-yl)methyl]hydrazine
CID 105247836
1-(3-chlorophenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine
CID 79658091
N-[(4-bromo-1-methylpyrazol-5-yl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 114657225

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine?
The IUPAC name of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine (CID 114657829) is 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine.
What is the SMILES notation for 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine?
The canonical SMILES for 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine is CCCN1CCOC(C(NC)c2c(Br)cnn2C(C)C)C1.
What is the InChIKey of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine?
The InChIKey is IXRUKVVTENJEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27BrN4O/c1-5-6-19-7-8-21-13(10-19)14(17-4)15-12(16)9-18-20(15)11(2)3/h9,11,13-14,17H,5-8,10H2,1-4H3.
What are the key properties of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine?
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine has a molecular weight of 359.31 g/mol, XLogP of 2.60, 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-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine is sourced from PubChem (CID 114657829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).