2-[4-bromo-5-[methylamino-(3-methyl-2-pyridinyl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine

C15H22BrN5 — CID 114648991

IUPAC2-[4-bromo-5-[methylamino-(3-methyl-2-pyridinyl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
SMILESCNC(c1ncccc1C)c1c(Br)cnn1CCN(C)C
InChIInChI=1S/C15H22BrN5/c1-11-6-5-7-18-13(11)14(17-2)15-12(16)10-19-21(15)9-8-20(3)4/h5-7,10,14,17H,8-9H2,1-4H3
InChIKeyBRDFJGLNZOYDIF-UHFFFAOYSA-N
MW352.28 g/mol
LogP2.22
Rot. Bonds6

About 2-[4-bromo-5-[methylamino-(3-methyl-2-pyridinyl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine

2-[4-bromo-5-[methylamino-(3-methyl-2-pyridinyl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine (PubChem CID 114648991) has the molecular formula C15H22BrN5 and a molecular weight of 352.28 g/mol. Its IUPAC name is 2-[4-bromo-5-[methylamino-(3-methyl-2-pyridinyl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-bromo-5-[methylamino-(3-methyl-2-pyridinyl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
PubChem CID114648991
Molecular FormulaC15H22BrN5
Molecular Weight352.28 g/mol
Exact Mass351.11
IUPAC Name2-[4-bromo-5-[methylamino-(3-methyl-2-pyridinyl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
SMILESCNC(c1ncccc1C)c1c(Br)cnn1CCN(C)C
InChIInChI=1S/C15H22BrN5/c1-11-6-5-7-18-13(11)14(17-2)15-12(16)10-19-21(15)9-8-20(3)4/h5-7,10,14,17H,8-9H2,1-4H3
InChIKeyBRDFJGLNZOYDIF-UHFFFAOYSA-N
XLogP2.22
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.28
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-bromo-5-[methylamino-(4-methylphenyl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114646966
2-[4-bromo-5-[methylamino(pyrazin-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114648082
2-[5-[amino-(3-methyl-2-pyridinyl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 114648971
2-[4-bromo-5-[(2-bromophenyl)-hydrazinylmethyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105208582
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-N,2-dimethylpropan-1-amine
CID 114647581
1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-1-(2-methyl-3-pyridinyl)methanamine
CID 105182840
[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(3-methyl-2-pyridinyl)methanone
CID 114639608
1-(3-bromo-2-pyridinyl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 114660548
2-[[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-hydrazinylmethyl]aniline
CID 105223775
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2,2-dimethoxy-N-methylethanamine
CID 114657541
1-(3-bromo-2-pyridinyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 114660556
2-[4-bromo-5-[ethylamino-(3-methylfuran-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114660779

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-5-[methylamino-(3-methyl-2-pyridinyl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-bromo-5-[methylamino-(3-methyl-2-pyridinyl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine (CID 114648991) is 2-[4-bromo-5-[methylamino-(3-methyl-2-pyridinyl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-bromo-5-[methylamino-(3-methyl-2-pyridinyl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-bromo-5-[methylamino-(3-methyl-2-pyridinyl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine is CNC(c1ncccc1C)c1c(Br)cnn1CCN(C)C.
What is the InChIKey of 2-[4-bromo-5-[methylamino-(3-methyl-2-pyridinyl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is BRDFJGLNZOYDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN5/c1-11-6-5-7-18-13(11)14(17-2)15-12(16)10-19-21(15)9-8-20(3)4/h5-7,10,14,17H,8-9H2,1-4H3.
What are the key properties of 2-[4-bromo-5-[methylamino-(3-methyl-2-pyridinyl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine?
2-[4-bromo-5-[methylamino-(3-methyl-2-pyridinyl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 352.28 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-5-[methylamino-(3-methyl-2-pyridinyl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 114648991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).