5-bromo-N,4-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-2-amine

C12H15BrN4 — CID 75514219

IUPAC5-bromo-N,4-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-2-amine
SMILESCc1cc(N(C)Cc2cnn(C)c2)ncc1Br
InChIInChI=1S/C12H15BrN4/c1-9-4-12(14-6-11(9)13)16(2)7-10-5-15-17(3)8-10/h4-6,8H,7H2,1-3H3
InChIKeyXVZOXDPVIFEGEZ-UHFFFAOYSA-N
MW295.18 g/mol
LogP2.52
Rot. Bonds3

About 5-bromo-N,4-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-2-amine

5-bromo-N,4-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-2-amine (PubChem CID 75514219) has the molecular formula C12H15BrN4 and a molecular weight of 295.18 g/mol. Its IUPAC name is 5-bromo-N,4-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N,4-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-2-amine
PubChem CID75514219
Molecular FormulaC12H15BrN4
Molecular Weight295.18 g/mol
Exact Mass294.05
IUPAC Name5-bromo-N,4-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-2-amine
SMILESCc1cc(N(C)Cc2cnn(C)c2)ncc1Br
InChIInChI=1S/C12H15BrN4/c1-9-4-12(14-6-11(9)13)16(2)7-10-5-15-17(3)8-10/h4-6,8H,7H2,1-3H3
InChIKeyXVZOXDPVIFEGEZ-UHFFFAOYSA-N
XLogP2.52
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,4-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-2-amine?
The IUPAC name of 5-bromo-N,4-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-2-amine (CID 75514219) is 5-bromo-N,4-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-N,4-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-N,4-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-2-amine is Cc1cc(N(C)Cc2cnn(C)c2)ncc1Br.
What is the InChIKey of 5-bromo-N,4-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-2-amine?
The InChIKey is XVZOXDPVIFEGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4/c1-9-4-12(14-6-11(9)13)16(2)7-10-5-15-17(3)8-10/h4-6,8H,7H2,1-3H3.
What are the key properties of 5-bromo-N,4-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-2-amine?
5-bromo-N,4-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-2-amine has a molecular weight of 295.18 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,4-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 75514219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).