1-[1-[(5-bromo-2-pyridinyl)methyl]pyrazol-4-yl]-N-methylmethanamine

C11H13BrN4 — CID 104811703

IUPAC1-[1-[(5-bromo-2-pyridinyl)methyl]pyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1cnn(Cc2ccc(Br)cn2)c1
InChIInChI=1S/C11H13BrN4/c1-13-4-9-5-15-16(7-9)8-11-3-2-10(12)6-14-11/h2-3,5-7,13H,4,8H2,1H3
InChIKeyDRVFWUWDYHTZFH-UHFFFAOYSA-N
MW281.16 g/mol
LogP1.81
Rot. Bonds4

About 1-[1-[(5-bromo-2-pyridinyl)methyl]pyrazol-4-yl]-N-methylmethanamine

1-[1-[(5-bromo-2-pyridinyl)methyl]pyrazol-4-yl]-N-methylmethanamine (PubChem CID 104811703) has the molecular formula C11H13BrN4 and a molecular weight of 281.16 g/mol. Its IUPAC name is 1-[1-[(5-bromo-2-pyridinyl)methyl]pyrazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(5-bromo-2-pyridinyl)methyl]pyrazol-4-yl]-N-methylmethanamine
PubChem CID104811703
Molecular FormulaC11H13BrN4
Molecular Weight281.16 g/mol
Exact Mass280.03
IUPAC Name1-[1-[(5-bromo-2-pyridinyl)methyl]pyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1cnn(Cc2ccc(Br)cn2)c1
InChIInChI=1S/C11H13BrN4/c1-13-4-9-5-15-16(7-9)8-11-3-2-10(12)6-14-11/h2-3,5-7,13H,4,8H2,1H3
InChIKeyDRVFWUWDYHTZFH-UHFFFAOYSA-N
XLogP1.81
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.16
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine
CID 62730298
5-bromo-2-[(4-methylpyrazol-1-yl)methyl]pyridine
CID 104809156
5-bromo-2-[(4-chloropyrazol-1-yl)methyl]pyridine
CID 104809162
1-[1-[(2-bromophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine
CID 62730652
1-[(5-bromo-2-pyridinyl)methyl]pyrazole-4-sulfonyl chloride
CID 104808098
1-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine
CID 62730113
1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrazol-4-yl]-N-methylmethanamine
CID 62731017
N-[[1-[(5-bromo-2-pyridinyl)methyl]-3-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 104811695
[1-[(5-bromo-2-pyridinyl)methyl]imidazol-4-yl]methanamine
CID 106718140
1-[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine
CID 55110682
5-bromo-2-[(4-chloro-3-methylpyrazol-1-yl)methyl]pyridine
CID 104809313
N-[[1-[(3-bromophenyl)methyl]pyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 62732126

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-bromo-2-pyridinyl)methyl]pyrazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(5-bromo-2-pyridinyl)methyl]pyrazol-4-yl]-N-methylmethanamine (CID 104811703) is 1-[1-[(5-bromo-2-pyridinyl)methyl]pyrazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(5-bromo-2-pyridinyl)methyl]pyrazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(5-bromo-2-pyridinyl)methyl]pyrazol-4-yl]-N-methylmethanamine is CNCc1cnn(Cc2ccc(Br)cn2)c1.
What is the InChIKey of 1-[1-[(5-bromo-2-pyridinyl)methyl]pyrazol-4-yl]-N-methylmethanamine?
The InChIKey is DRVFWUWDYHTZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4/c1-13-4-9-5-15-16(7-9)8-11-3-2-10(12)6-14-11/h2-3,5-7,13H,4,8H2,1H3.
What are the key properties of 1-[1-[(5-bromo-2-pyridinyl)methyl]pyrazol-4-yl]-N-methylmethanamine?
1-[1-[(5-bromo-2-pyridinyl)methyl]pyrazol-4-yl]-N-methylmethanamine has a molecular weight of 281.16 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-bromo-2-pyridinyl)methyl]pyrazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 104811703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).