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

C16H17BrN4O — CID 3608142

IUPAC5-bromo-N-[(3,5-dimethylpyrazol-1-yl)-(5-methylfuran-2-yl)methyl]pyridin-2-amine
SMILESCc1cc(C)n(C(Nc2ccc(Br)cn2)c2ccc(C)o2)n1
InChIInChI=1S/C16H17BrN4O/c1-10-8-11(2)21(20-10)16(14-6-4-12(3)22-14)19-15-7-5-13(17)9-18-15/h4-9,16H,1-3H3,(H,18,19)
InChIKeyOUAOEJRJPFMQFP-UHFFFAOYSA-N
MW361.24 g/mol
LogP4.22
Rot. Bonds4

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

5-bromo-N-[(3,5-dimethylpyrazol-1-yl)-(5-methylfuran-2-yl)methyl]pyridin-2-amine (PubChem CID 3608142) has the molecular formula C16H17BrN4O and a molecular weight of 361.24 g/mol. Its IUPAC name is 5-bromo-N-[(3,5-dimethylpyrazol-1-yl)-(5-methylfuran-2-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[(3,5-dimethylpyrazol-1-yl)-(5-methylfuran-2-yl)methyl]pyridin-2-amine
PubChem CID3608142
Molecular FormulaC16H17BrN4O
Molecular Weight361.24 g/mol
Exact Mass360.06
IUPAC Name5-bromo-N-[(3,5-dimethylpyrazol-1-yl)-(5-methylfuran-2-yl)methyl]pyridin-2-amine
SMILESCc1cc(C)n(C(Nc2ccc(Br)cn2)c2ccc(C)o2)n1
InChIInChI=1S/C16H17BrN4O/c1-10-8-11(2)21(20-10)16(14-6-4-12(3)22-14)19-15-7-5-13(17)9-18-15/h4-9,16H,1-3H3,(H,18,19)
InChIKeyOUAOEJRJPFMQFP-UHFFFAOYSA-N
XLogP4.22
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.24
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(3,5-dimethylpyrazol-1-yl)-(5-methylfuran-2-yl)methyl]pyridin-2-amine?
The IUPAC name of 5-bromo-N-[(3,5-dimethylpyrazol-1-yl)-(5-methylfuran-2-yl)methyl]pyridin-2-amine (CID 3608142) is 5-bromo-N-[(3,5-dimethylpyrazol-1-yl)-(5-methylfuran-2-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[(3,5-dimethylpyrazol-1-yl)-(5-methylfuran-2-yl)methyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-N-[(3,5-dimethylpyrazol-1-yl)-(5-methylfuran-2-yl)methyl]pyridin-2-amine is Cc1cc(C)n(C(Nc2ccc(Br)cn2)c2ccc(C)o2)n1.
What is the InChIKey of 5-bromo-N-[(3,5-dimethylpyrazol-1-yl)-(5-methylfuran-2-yl)methyl]pyridin-2-amine?
The InChIKey is OUAOEJRJPFMQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN4O/c1-10-8-11(2)21(20-10)16(14-6-4-12(3)22-14)19-15-7-5-13(17)9-18-15/h4-9,16H,1-3H3,(H,18,19).
What are the key properties of 5-bromo-N-[(3,5-dimethylpyrazol-1-yl)-(5-methylfuran-2-yl)methyl]pyridin-2-amine?
5-bromo-N-[(3,5-dimethylpyrazol-1-yl)-(5-methylfuran-2-yl)methyl]pyridin-2-amine has a molecular weight of 361.24 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(3,5-dimethylpyrazol-1-yl)-(5-methylfuran-2-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 3608142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).