5-bromo-4-methyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridin-2-amine

C13H17BrN4 — CID 114263243

IUPAC5-bromo-4-methyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridin-2-amine
SMILESCc1cc(Nc2cn(C)nc2C(C)C)ncc1Br
InChIInChI=1S/C13H17BrN4/c1-8(2)13-11(7-18(4)17-13)16-12-5-9(3)10(14)6-15-12/h5-8H,1-4H3,(H,15,16)
InChIKeyJWBGMPBFBZQTJP-UHFFFAOYSA-N
MW309.21 g/mol
LogP3.75
Rot. Bonds3

About 5-bromo-4-methyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridin-2-amine

5-bromo-4-methyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridin-2-amine (PubChem CID 114263243) has the molecular formula C13H17BrN4 and a molecular weight of 309.21 g/mol. Its IUPAC name is 5-bromo-4-methyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-4-methyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridin-2-amine
PubChem CID114263243
Molecular FormulaC13H17BrN4
Molecular Weight309.21 g/mol
Exact Mass308.06
IUPAC Name5-bromo-4-methyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridin-2-amine
SMILESCc1cc(Nc2cn(C)nc2C(C)C)ncc1Br
InChIInChI=1S/C13H17BrN4/c1-8(2)13-11(7-18(4)17-13)16-12-5-9(3)10(14)6-15-12/h5-8H,1-4H3,(H,15,16)
InChIKeyJWBGMPBFBZQTJP-UHFFFAOYSA-N
XLogP3.75
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-4-methyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,6-dimethyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine
CID 114094516
6-methoxy-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine
CID 114263271
5-bromo-2-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridine-2,3-diamine
CID 114262574
5-bromo-N-(2,5-dimethylphenyl)-4-methylpyridin-2-amine
CID 114870190
6-methyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridin-2-amine
CID 114263278
5-bromo-4-methyl-N-(2-methylsulfanylphenyl)pyridin-2-amine
CID 107645866
5-methyl-3-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)benzene-1,3-diamine
CID 114262572
5-bromo-N-(2-bromo-5-methylphenyl)-4-methylpyridin-2-amine
CID 114870518
5-bromo-N-(4-bromo-2-methylphenyl)-4-methylpyridin-2-amine
CID 114870136
5-bromo-N-(5-tert-butyl-2-methylphenyl)-4-methylpyridin-2-amine
CID 115146961
5-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylpyridin-2-amine
CID 115886989
5-bromo-N-(2-bromo-5-chlorophenyl)-4-methylpyridin-2-amine
CID 114870498

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridin-2-amine?
The IUPAC name of 5-bromo-4-methyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridin-2-amine (CID 114263243) is 5-bromo-4-methyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-4-methyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridin-2-amine?
The canonical SMILES for 5-bromo-4-methyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridin-2-amine is Cc1cc(Nc2cn(C)nc2C(C)C)ncc1Br.
What is the InChIKey of 5-bromo-4-methyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridin-2-amine?
The InChIKey is JWBGMPBFBZQTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4/c1-8(2)13-11(7-18(4)17-13)16-12-5-9(3)10(14)6-15-12/h5-8H,1-4H3,(H,15,16).
What are the key properties of 5-bromo-4-methyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridin-2-amine?
5-bromo-4-methyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridin-2-amine has a molecular weight of 309.21 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 114263243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).