1-(3-bromo-2-pyridinyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine

C14H19BrN4O — CID 114660556

IUPAC1-(3-bromo-2-pyridinyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
SMILESCCCn1ncc(OC)c1C(NC)c1ncccc1Br
InChIInChI=1S/C14H19BrN4O/c1-4-8-19-14(11(20-3)9-18-19)13(16-2)12-10(15)6-5-7-17-12/h5-7,9,13,16H,4,8H2,1-3H3
InChIKeyCTGTYOHXGKAKEQ-UHFFFAOYSA-N
MW339.24 g/mol
LogP2.77
Rot. Bonds6

About 1-(3-bromo-2-pyridinyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine

1-(3-bromo-2-pyridinyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine (PubChem CID 114660556) has the molecular formula C14H19BrN4O and a molecular weight of 339.24 g/mol. Its IUPAC name is 1-(3-bromo-2-pyridinyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromo-2-pyridinyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
PubChem CID114660556
Molecular FormulaC14H19BrN4O
Molecular Weight339.24 g/mol
Exact Mass338.07
IUPAC Name1-(3-bromo-2-pyridinyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
SMILESCCCn1ncc(OC)c1C(NC)c1ncccc1Br
InChIInChI=1S/C14H19BrN4O/c1-4-8-19-14(11(20-3)9-18-19)13(16-2)12-10(15)6-5-7-17-12/h5-7,9,13,16H,4,8H2,1-3H3
InChIKeyCTGTYOHXGKAKEQ-UHFFFAOYSA-N
XLogP2.77
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.24
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-bromo-2-pyridinyl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 114660548
1-(4-methoxy-1-propylpyrazol-5-yl)-1-(2-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105187148
[(3-bromo-2-pyridinyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine
CID 105268019
N-[(3-bromo-2-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine
CID 114660568
1-(3-bromothiophen-2-yl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 105048698
1-(3-bromo-4-fluorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 114660093
1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-1-(4-methyl-2-pyridinyl)methanamine
CID 114651811
[(3-bromo-2-methylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]hydrazine
CID 105339867
1-(4-chlorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 114646357
1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-1-(3-methylphenyl)methanamine
CID 114647720
[(3-bromo-2-chlorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]hydrazine
CID 105339857
1-(5-chlorofuran-2-yl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 106693264

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-pyridinyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(3-bromo-2-pyridinyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine (CID 114660556) is 1-(3-bromo-2-pyridinyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromo-2-pyridinyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bromo-2-pyridinyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine is CCCn1ncc(OC)c1C(NC)c1ncccc1Br.
What is the InChIKey of 1-(3-bromo-2-pyridinyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine?
The InChIKey is CTGTYOHXGKAKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN4O/c1-4-8-19-14(11(20-3)9-18-19)13(16-2)12-10(15)6-5-7-17-12/h5-7,9,13,16H,4,8H2,1-3H3.
What are the key properties of 1-(3-bromo-2-pyridinyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine?
1-(3-bromo-2-pyridinyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine has a molecular weight of 339.24 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-pyridinyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine is sourced from PubChem (CID 114660556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).