5-bromo-6-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridin-3-amine

C11H13BrN4 — CID 139018915

IUPAC5-bromo-6-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridin-3-amine
SMILESCc1ncc(NCc2cn[nH]c2C)cc1Br
InChIInChI=1S/C11H13BrN4/c1-7-9(5-15-16-7)4-14-10-3-11(12)8(2)13-6-10/h3,5-6,14H,4H2,1-2H3,(H,15,16)
InChIKeyNLOFMVHSPZBZAV-UHFFFAOYSA-N
MW281.16 g/mol
LogP2.80
Rot. Bonds3

About 5-bromo-6-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridin-3-amine

5-bromo-6-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridin-3-amine (PubChem CID 139018915) has the molecular formula C11H13BrN4 and a molecular weight of 281.16 g/mol. Its IUPAC name is 5-bromo-6-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-6-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridin-3-amine
PubChem CID139018915
Molecular FormulaC11H13BrN4
Molecular Weight281.16 g/mol
Exact Mass280.03
IUPAC Name5-bromo-6-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridin-3-amine
SMILESCc1ncc(NCc2cn[nH]c2C)cc1Br
InChIInChI=1S/C11H13BrN4/c1-7-9(5-15-16-7)4-14-10-3-11(12)8(2)13-6-10/h3,5-6,14H,4H2,1-2H3,(H,15,16)
InChIKeyNLOFMVHSPZBZAV-UHFFFAOYSA-N
XLogP2.80
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.16
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
CID 115909467
3-bromo-4-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
CID 63998059
N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridin-3-amine
CID 43663437
3-iodo-4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
CID 43716345
4-(2-methoxyethoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
CID 43734233
5-methoxy-3-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzene-1,3-diamine
CID 80739081
1-(2-bromo-5-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
CID 54902511
4-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzene-1,2-dicarbonitrile
CID 107788411
3-chloro-4-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
CID 54864056
N-methyl-4-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzamide
CID 43683696
6-imidazol-1-yl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridin-3-amine
CID 43710749
2-ethoxy-4-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzene-1,4-diamine
CID 63675675

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridin-3-amine?
The IUPAC name of 5-bromo-6-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridin-3-amine (CID 139018915) is 5-bromo-6-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridin-3-amine.
What is the SMILES notation for 5-bromo-6-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridin-3-amine?
The canonical SMILES for 5-bromo-6-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridin-3-amine is Cc1ncc(NCc2cn[nH]c2C)cc1Br.
What is the InChIKey of 5-bromo-6-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridin-3-amine?
The InChIKey is NLOFMVHSPZBZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4/c1-7-9(5-15-16-7)4-14-10-3-11(12)8(2)13-6-10/h3,5-6,14H,4H2,1-2H3,(H,15,16).
What are the key properties of 5-bromo-6-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridin-3-amine?
5-bromo-6-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridin-3-amine has a molecular weight of 281.16 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridin-3-amine is sourced from PubChem (CID 139018915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).