N-[[1-[(5-bromo-2-pyridinyl)methyl]-3-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine

C15H21BrN4 — CID 104811695

IUPACN-[[1-[(5-bromo-2-pyridinyl)methyl]-3-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCc1nn(Cc2ccc(Br)cn2)cc1CNC(C)(C)C
InChIInChI=1S/C15H21BrN4/c1-11-12(7-18-15(2,3)4)9-20(19-11)10-14-6-5-13(16)8-17-14/h5-6,8-9,18H,7,10H2,1-4H3
InChIKeyQXGBWHMFXVCIBD-UHFFFAOYSA-N
MW337.27 g/mol
LogP3.29
Rot. Bonds4

About N-[[1-[(5-bromo-2-pyridinyl)methyl]-3-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine

N-[[1-[(5-bromo-2-pyridinyl)methyl]-3-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 104811695) has the molecular formula C15H21BrN4 and a molecular weight of 337.27 g/mol. Its IUPAC name is N-[[1-[(5-bromo-2-pyridinyl)methyl]-3-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-[(5-bromo-2-pyridinyl)methyl]-3-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID104811695
Molecular FormulaC15H21BrN4
Molecular Weight337.27 g/mol
Exact Mass336.09
IUPAC NameN-[[1-[(5-bromo-2-pyridinyl)methyl]-3-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCc1nn(Cc2ccc(Br)cn2)cc1CNC(C)(C)C
InChIInChI=1S/C15H21BrN4/c1-11-12(7-18-15(2,3)4)9-20(19-11)10-14-6-5-13(16)8-17-14/h5-6,8-9,18H,7,10H2,1-4H3
InChIKeyQXGBWHMFXVCIBD-UHFFFAOYSA-N
XLogP3.29
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.27
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[(5-bromo-2-pyridinyl)methyl]-3-methylpyrazol-4-yl]methyl]-2-methoxyethanamine
CID 104811700
5-bromo-2-[(4-chloro-3-methylpyrazol-1-yl)methyl]pyridine
CID 104809313
N-[[2-[(5-bromo-2-pyridinyl)methyl]pyrazol-3-yl]methyl]-2-methylpropan-2-amine
CID 104811764
1-(5-bromo-2-pyridinyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]methanamine
CID 112668648
N-[[1-[(5-chloro-2-fluorophenyl)methyl]-3-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 103050335
N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 115334632
5-bromo-2-[(4-methylpyrazol-1-yl)methyl]pyridine
CID 104809156
1-[1-[(5-bromo-2-pyridinyl)methyl]pyrazol-4-yl]-N-methylmethanamine
CID 104811703
N-[[1-[2-(3-methoxypropoxy)ethyl]-3-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 103184324
2-methyl-N-[[3-methyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]methyl]propan-2-amine
CID 103140628
5-bromo-2-[(4-chloropyrazol-1-yl)methyl]pyridine
CID 104809162
5-bromo-2-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]pyridine
CID 104809178

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-bromo-2-pyridinyl)methyl]-3-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-[(5-bromo-2-pyridinyl)methyl]-3-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine (CID 104811695) is N-[[1-[(5-bromo-2-pyridinyl)methyl]-3-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-[(5-bromo-2-pyridinyl)methyl]-3-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-[(5-bromo-2-pyridinyl)methyl]-3-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine is Cc1nn(Cc2ccc(Br)cn2)cc1CNC(C)(C)C.
What is the InChIKey of N-[[1-[(5-bromo-2-pyridinyl)methyl]-3-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is QXGBWHMFXVCIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN4/c1-11-12(7-18-15(2,3)4)9-20(19-11)10-14-6-5-13(16)8-17-14/h5-6,8-9,18H,7,10H2,1-4H3.
What are the key properties of N-[[1-[(5-bromo-2-pyridinyl)methyl]-3-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine?
N-[[1-[(5-bromo-2-pyridinyl)methyl]-3-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 337.27 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-bromo-2-pyridinyl)methyl]-3-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 104811695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).