1-[3-bromo-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-N-methylmethanamine

C10H10BrClN4 — CID 139035294

IUPAC1-[3-bromo-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-N-methylmethanamine
SMILESCNCc1cc(Br)nn1-c1ncccc1Cl
InChIInChI=1S/C10H10BrClN4/c1-13-6-7-5-9(11)15-16(7)10-8(12)3-2-4-14-10/h2-5,13H,6H2,1H3
InChIKeyYAZHJBXZYLLGKR-UHFFFAOYSA-N
MW301.58 g/mol
LogP2.40
Rot. Bonds3

About 1-[3-bromo-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-N-methylmethanamine

1-[3-bromo-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-N-methylmethanamine (PubChem CID 139035294) has the molecular formula C10H10BrClN4 and a molecular weight of 301.58 g/mol. Its IUPAC name is 1-[3-bromo-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-bromo-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-N-methylmethanamine
PubChem CID139035294
Molecular FormulaC10H10BrClN4
Molecular Weight301.58 g/mol
Exact Mass299.98
IUPAC Name1-[3-bromo-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-N-methylmethanamine
SMILESCNCc1cc(Br)nn1-c1ncccc1Cl
InChIInChI=1S/C10H10BrClN4/c1-13-6-7-5-9(11)15-16(7)10-8(12)3-2-4-14-10/h2-5,13H,6H2,1H3
InChIKeyYAZHJBXZYLLGKR-UHFFFAOYSA-N
XLogP2.40
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.58
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromo-5-ethylpyrazol-1-yl)-3-chloropyridine
CID 143762317
2-(3-bromo-5-methylsulfanylpyrazol-1-yl)-3-chloropyridine
CID 155042082
3-bromo-1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-[2-(methylamino)-2-oxoethyl]phenyl]pyrazole-5-carboxamide
CID 123831656
2-(3-bromopyrazol-1-yl)-3-chloropyridine
CID 174603551
3-bromo-1-(3-chloro-2-pyridinyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazole-5-carboxamide
CID 171679473
3-bromo-1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(methylcarbamoyl)phenyl]-N-ethylpyrazole-5-carboxamide
CID 155666892
3-bromo-N-[4-chloro-2-(cyanomethylcarbamoyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide
CID 150047595
ethyl (Z)-3-[3-bromo-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-2-chloroprop-2-enoate
CID 175484507
3-bromo-N-(4-chloro-2-methylphenyl)-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide
CID 141285430
2-[[3-bromo-1-(3-methyl-2-pyridinyl)pyrazol-5-yl]methylamino]-N-tert-butyl-5-chloro-3-methylbenzamide
CID 163694095
[3-bromo-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-imidazol-1-ylmethanone
CID 123646569
1-(3-chloro-2-pyridinyl)-N-methylpyrazol-3-amine
CID 130684274

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[3-bromo-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-N-methylmethanamine (CID 139035294) is 1-[3-bromo-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-bromo-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3-bromo-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-N-methylmethanamine is CNCc1cc(Br)nn1-c1ncccc1Cl.
What is the InChIKey of 1-[3-bromo-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-N-methylmethanamine?
The InChIKey is YAZHJBXZYLLGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClN4/c1-13-6-7-5-9(11)15-16(7)10-8(12)3-2-4-14-10/h2-5,13H,6H2,1H3.
What are the key properties of 1-[3-bromo-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-N-methylmethanamine?
1-[3-bromo-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-N-methylmethanamine has a molecular weight of 301.58 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 139035294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).