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

C13H17BrN4 — CID 65347734

IUPACN-[[1-(5-bromo-2-pyridinyl)-5-methylpyrazol-4-yl]methyl]propan-2-amine
SMILESCc1c(CNC(C)C)cnn1-c1ccc(Br)cn1
InChIInChI=1S/C13H17BrN4/c1-9(2)15-6-11-7-17-18(10(11)3)13-5-4-12(14)8-16-13/h4-5,7-9,15H,6H2,1-3H3
InChIKeyOZNXQHZLXXLOAB-UHFFFAOYSA-N
MW309.21 g/mol
LogP2.84
Rot. Bonds4

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

N-[[1-(5-bromo-2-pyridinyl)-5-methylpyrazol-4-yl]methyl]propan-2-amine (PubChem CID 65347734) has the molecular formula C13H17BrN4 and a molecular weight of 309.21 g/mol. Its IUPAC name is N-[[1-(5-bromo-2-pyridinyl)-5-methylpyrazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(5-bromo-2-pyridinyl)-5-methylpyrazol-4-yl]methyl]propan-2-amine
PubChem CID65347734
Molecular FormulaC13H17BrN4
Molecular Weight309.21 g/mol
Exact Mass308.06
IUPAC NameN-[[1-(5-bromo-2-pyridinyl)-5-methylpyrazol-4-yl]methyl]propan-2-amine
SMILESCc1c(CNC(C)C)cnn1-c1ccc(Br)cn1
InChIInChI=1S/C13H17BrN4/c1-9(2)15-6-11-7-17-18(10(11)3)13-5-4-12(14)8-16-13/h4-5,7-9,15H,6H2,1-3H3
InChIKeyOZNXQHZLXXLOAB-UHFFFAOYSA-N
XLogP2.84
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(5-bromo-2-pyridinyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-2-amine
CID 66440011
N-[[1-(5-bromo-2-pyridinyl)-5-methylpyrazol-4-yl]methyl]-2-methoxyethanamine
CID 66442415
N-[[1-(5-bromo-2-pyridinyl)-5-propan-2-ylpyrazol-4-yl]methyl]ethanamine
CID 66440209
N-[[1-(5-bromo-2-pyridinyl)-3,5-diethylpyrazol-4-yl]methyl]propan-2-amine
CID 107431144
[1-(5-bromo-2-pyridinyl)-5-propan-2-ylpyrazol-4-yl]methanol
CID 66437474
N-[[1-(2,4-dimethoxyphenyl)-5-methylpyrazol-4-yl]methyl]propan-2-amine
CID 82527870
N-[[1-(4-bromophenyl)-5-(trifluoromethyl)pyrazol-4-yl]methyl]propan-2-amine
CID 66441171
1-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-4-yl]-N-methylmethanamine
CID 66442611
[1-(5-bromo-2-pyridinyl)-5-ethylpyrazol-4-yl]methanol
CID 66437696
5-bromo-2-[4-(bromomethyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine
CID 66439480
N-[[4-bromo-2-(4-methylpyrazol-1-yl)phenyl]methyl]propan-2-amine
CID 60872941
N-[[1-(5-bromo-2-pyridinyl)-5-propylpyrazol-4-yl]methyl]cyclopropanamine
CID 66440205

Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-bromo-2-pyridinyl)-5-methylpyrazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(5-bromo-2-pyridinyl)-5-methylpyrazol-4-yl]methyl]propan-2-amine (CID 65347734) is N-[[1-(5-bromo-2-pyridinyl)-5-methylpyrazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(5-bromo-2-pyridinyl)-5-methylpyrazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(5-bromo-2-pyridinyl)-5-methylpyrazol-4-yl]methyl]propan-2-amine is Cc1c(CNC(C)C)cnn1-c1ccc(Br)cn1.
What is the InChIKey of N-[[1-(5-bromo-2-pyridinyl)-5-methylpyrazol-4-yl]methyl]propan-2-amine?
The InChIKey is OZNXQHZLXXLOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4/c1-9(2)15-6-11-7-17-18(10(11)3)13-5-4-12(14)8-16-13/h4-5,7-9,15H,6H2,1-3H3.
What are the key properties of N-[[1-(5-bromo-2-pyridinyl)-5-methylpyrazol-4-yl]methyl]propan-2-amine?
N-[[1-(5-bromo-2-pyridinyl)-5-methylpyrazol-4-yl]methyl]propan-2-amine has a molecular weight of 309.21 g/mol, XLogP of 2.84, 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)-5-methylpyrazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 65347734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).