3-bromo-4-methyl-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine

C12H15BrN4 — CID 106875596

IUPAC3-bromo-4-methyl-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine
SMILESCc1ccnc(NC(C)Cn2cccn2)c1Br
InChIInChI=1S/C12H15BrN4/c1-9-4-6-14-12(11(9)13)16-10(2)8-17-7-3-5-15-17/h3-7,10H,8H2,1-2H3,(H,14,16)
InChIKeyUOGCDXLEHHFVDZ-UHFFFAOYSA-N
MW295.18 g/mol
LogP2.85
Rot. Bonds4

About 3-bromo-4-methyl-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine

3-bromo-4-methyl-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine (PubChem CID 106875596) has the molecular formula C12H15BrN4 and a molecular weight of 295.18 g/mol. Its IUPAC name is 3-bromo-4-methyl-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-4-methyl-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine
PubChem CID106875596
Molecular FormulaC12H15BrN4
Molecular Weight295.18 g/mol
Exact Mass294.05
IUPAC Name3-bromo-4-methyl-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine
SMILESCc1ccnc(NC(C)Cn2cccn2)c1Br
InChIInChI=1S/C12H15BrN4/c1-9-4-6-14-12(11(9)13)16-10(2)8-17-7-3-5-15-17/h3-7,10H,8H2,1-2H3,(H,14,16)
InChIKeyUOGCDXLEHHFVDZ-UHFFFAOYSA-N
XLogP2.85
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-(1-imidazol-1-ylpropan-2-yl)-4-methylpyridin-2-amine
CID 106875615
5-bromo-3-methyl-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine
CID 79718486
3-bromo-4-methyl-N-(1-piperidin-1-ylpropan-2-yl)pyridin-2-amine
CID 106875617
3-bromo-4-methyl-N-(4-methylpentan-2-yl)pyridin-2-amine
CID 106875484
3-bromo-4-methyl-N-pent-4-en-2-ylpyridin-2-amine
CID 106875917
3-(1-pyrazol-1-ylpropan-2-ylamino)pyrazine-2-carboxylic acid
CID 62709836
5-bromo-N-(1-pyrazol-1-ylpropan-2-yl)-1,3,4-thiadiazol-2-amine
CID 64623057
6-N,2,5-trimethyl-4-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-4,6-diamine
CID 80809420
6-N-methyl-5-propan-2-yl-4-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-4,6-diamine
CID 80808626
3-bromo-N-(3,3-dimethylbutan-2-yl)-4-methylpyridin-2-amine
CID 106875908
N-(1-pyrazol-1-ylpropan-2-yl)quinolin-2-amine
CID 61462720
4-bromo-N-(1-pyrazol-1-ylpropan-2-yl)-2-(trifluoromethyl)aniline
CID 65485763

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine?
The IUPAC name of 3-bromo-4-methyl-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine (CID 106875596) is 3-bromo-4-methyl-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-4-methyl-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine?
The canonical SMILES for 3-bromo-4-methyl-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine is Cc1ccnc(NC(C)Cn2cccn2)c1Br.
What is the InChIKey of 3-bromo-4-methyl-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine?
The InChIKey is UOGCDXLEHHFVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4/c1-9-4-6-14-12(11(9)13)16-10(2)8-17-7-3-5-15-17/h3-7,10H,8H2,1-2H3,(H,14,16).
What are the key properties of 3-bromo-4-methyl-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine?
3-bromo-4-methyl-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine has a molecular weight of 295.18 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methyl-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine is sourced from PubChem (CID 106875596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).