3-bromo-5-methyl-2-[(3R)-3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyridine

C14H17BrN4 — CID 99841091

IUPAC3-bromo-5-methyl-2-[(3R)-3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyridine
SMILESCc1cnc(N2CC[C@H](c3cnn(C)c3)C2)c(Br)c1
InChIInChI=1S/C14H17BrN4/c1-10-5-13(15)14(16-6-10)19-4-3-11(9-19)12-7-17-18(2)8-12/h5-8,11H,3-4,9H2,1-2H3/t11-/m0/s1
InChIKeyDURKSABNJIRRNN-NSHDSACASA-N
MW321.22 g/mol
LogP2.88
Rot. Bonds2

About 3-bromo-5-methyl-2-[(3R)-3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyridine

3-bromo-5-methyl-2-[(3R)-3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyridine (PubChem CID 99841091) has the molecular formula C14H17BrN4 and a molecular weight of 321.22 g/mol. Its IUPAC name is 3-bromo-5-methyl-2-[(3R)-3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyridine.

Molecular Properties

Compound Name3-bromo-5-methyl-2-[(3R)-3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyridine
PubChem CID99841091
Molecular FormulaC14H17BrN4
Molecular Weight321.22 g/mol
Exact Mass320.06
IUPAC Name3-bromo-5-methyl-2-[(3R)-3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyridine
SMILESCc1cnc(N2CC[C@H](c3cnn(C)c3)C2)c(Br)c1
InChIInChI=1S/C14H17BrN4/c1-10-5-13(15)14(16-6-10)19-4-3-11(9-19)12-7-17-18(2)8-12/h5-8,11H,3-4,9H2,1-2H3/t11-/m0/s1
InChIKeyDURKSABNJIRRNN-NSHDSACASA-N
XLogP2.88
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methyl-2-[(3R)-3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyridine?
The IUPAC name of 3-bromo-5-methyl-2-[(3R)-3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyridine (CID 99841091) is 3-bromo-5-methyl-2-[(3R)-3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyridine.
What is the SMILES notation for 3-bromo-5-methyl-2-[(3R)-3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyridine?
The canonical SMILES for 3-bromo-5-methyl-2-[(3R)-3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyridine is Cc1cnc(N2CC[C@H](c3cnn(C)c3)C2)c(Br)c1.
What is the InChIKey of 3-bromo-5-methyl-2-[(3R)-3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyridine?
The InChIKey is DURKSABNJIRRNN-NSHDSACASA-N. The full InChI is InChI=1S/C14H17BrN4/c1-10-5-13(15)14(16-6-10)19-4-3-11(9-19)12-7-17-18(2)8-12/h5-8,11H,3-4,9H2,1-2H3/t11-/m0/s1.
What are the key properties of 3-bromo-5-methyl-2-[(3R)-3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyridine?
3-bromo-5-methyl-2-[(3R)-3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyridine has a molecular weight of 321.22 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methyl-2-[(3R)-3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyridine is sourced from PubChem (CID 99841091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).