3-bromo-N-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methylpyridin-2-amine

C12H15BrN4 — CID 122404054

IUPAC3-bromo-N-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methylpyridin-2-amine
SMILESCc1cnc(NCn2nc(C)cc2C)c(Br)c1
InChIInChI=1S/C12H15BrN4/c1-8-4-11(13)12(14-6-8)15-7-17-10(3)5-9(2)16-17/h4-6H,7H2,1-3H3,(H,14,15)
InChIKeyBTCADBSWLNKAGD-UHFFFAOYSA-N
MW295.18 g/mol
LogP3.04
Rot. Bonds3

About 3-bromo-N-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methylpyridin-2-amine

3-bromo-N-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methylpyridin-2-amine (PubChem CID 122404054) has the molecular formula C12H15BrN4 and a molecular weight of 295.18 g/mol. Its IUPAC name is 3-bromo-N-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methylpyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methylpyridin-2-amine
PubChem CID122404054
Molecular FormulaC12H15BrN4
Molecular Weight295.18 g/mol
Exact Mass294.05
IUPAC Name3-bromo-N-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methylpyridin-2-amine
SMILESCc1cnc(NCn2nc(C)cc2C)c(Br)c1
InChIInChI=1S/C12H15BrN4/c1-8-4-11(13)12(14-6-8)15-7-17-10(3)5-9(2)16-17/h4-6H,7H2,1-3H3,(H,14,15)
InChIKeyBTCADBSWLNKAGD-UHFFFAOYSA-N
XLogP3.04
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-5-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridin-2-amine
CID 114836170
1-N,4-N-bis[(3,5-dimethylpyrazol-1-yl)methyl]benzene-1,4-diamine
CID 86240753
1-N-(3-bromo-5-methyl-2-pyridinyl)-2-N-methylpropane-1,2-diamine
CID 130505489
3-bromo-N-(2,2-dimethylbutyl)-5-methylpyridin-2-amine
CID 103462640
3-bromo-N-butyl-5-methylpyridin-2-amine
CID 82477943
3-bromo-N-(3-chloropropyl)-5-methylpyridin-2-amine
CID 105368698
3-bromo-N-(2-bromoprop-2-enyl)-5-methylpyridin-2-amine
CID 105367126
3-bromo-N-(2-chloroprop-2-enyl)-5-methylpyridin-2-amine
CID 105367125
1-[(3-bromo-5-methyl-2-pyridinyl)amino]-3-methylbutan-2-ol
CID 105367163
1-[(Z)-3-chloro-2-methylprop-2-enyl]-3,5-dimethylpyrazole
CID 106440153
4-[(3-bromo-5-methyl-2-pyridinyl)amino]-3,3-dimethylbutan-1-ol
CID 106144830
N-[(3,5-dimethylpyrazol-1-yl)methyl]-4-fluoroaniline
CID 762793

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methylpyridin-2-amine?
The IUPAC name of 3-bromo-N-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methylpyridin-2-amine (CID 122404054) is 3-bromo-N-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methylpyridin-2-amine.
What is the SMILES notation for 3-bromo-N-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methylpyridin-2-amine?
The canonical SMILES for 3-bromo-N-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methylpyridin-2-amine is Cc1cnc(NCn2nc(C)cc2C)c(Br)c1.
What is the InChIKey of 3-bromo-N-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methylpyridin-2-amine?
The InChIKey is BTCADBSWLNKAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4/c1-8-4-11(13)12(14-6-8)15-7-17-10(3)5-9(2)16-17/h4-6H,7H2,1-3H3,(H,14,15).
What are the key properties of 3-bromo-N-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methylpyridin-2-amine?
3-bromo-N-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methylpyridin-2-amine has a molecular weight of 295.18 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methylpyridin-2-amine is sourced from PubChem (CID 122404054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).