4-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-2-methoxypyrimidine

C13H16BrN5O — CID 126946963

IUPAC4-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-2-methoxypyrimidine
SMILESCOc1nccc(CN2CCC(n3cc(Br)cn3)C2)n1
InChIInChI=1S/C13H16BrN5O/c1-20-13-15-4-2-11(17-13)8-18-5-3-12(9-18)19-7-10(14)6-16-19/h2,4,6-7,12H,3,5,8-9H2,1H3
InChIKeyYWVXCSUCKDIUAX-UHFFFAOYSA-N
MW338.21 g/mol
LogP1.89
Rot. Bonds4

About 4-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-2-methoxypyrimidine

4-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-2-methoxypyrimidine (PubChem CID 126946963) has the molecular formula C13H16BrN5O and a molecular weight of 338.21 g/mol. Its IUPAC name is 4-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-2-methoxypyrimidine.

Molecular Properties

Compound Name4-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-2-methoxypyrimidine
PubChem CID126946963
Molecular FormulaC13H16BrN5O
Molecular Weight338.21 g/mol
Exact Mass337.05
IUPAC Name4-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-2-methoxypyrimidine
SMILESCOc1nccc(CN2CCC(n3cc(Br)cn3)C2)n1
InChIInChI=1S/C13H16BrN5O/c1-20-13-15-4-2-11(17-13)8-18-5-3-12(9-18)19-7-10(14)6-16-19/h2,4,6-7,12H,3,5,8-9H2,1H3
InChIKeyYWVXCSUCKDIUAX-UHFFFAOYSA-N
XLogP1.89
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]pyrimidine
CID 126946968
1-[1-[1-[(2-methoxypyrimidin-4-yl)methyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126945790
1-[1-[1-[(2-methoxypyrimidin-4-yl)methyl]azetidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one
CID 126946146
2-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine
CID 126946939
1-[1-[(2-cyclopropylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]pyrazole-4-carbonitrile
CID 126947753
4-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-1,2-thiazole
CID 126947018
2-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-5-methylpyrazine
CID 126901418
3-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-5-cyclobutyl-1,2,4-oxadiazole
CID 126946981
1-[1-[1-[(2-cyclobutylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one
CID 126948716
2-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-5-methylpyrimidine
CID 126947069
2-methoxy-4-[(4-methoxy-4-methylpiperidin-1-yl)methyl]pyrimidine
CID 163258830
7-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 126947093

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-2-methoxypyrimidine?
The IUPAC name of 4-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-2-methoxypyrimidine (CID 126946963) is 4-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-2-methoxypyrimidine.
What is the SMILES notation for 4-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-2-methoxypyrimidine?
The canonical SMILES for 4-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-2-methoxypyrimidine is COc1nccc(CN2CCC(n3cc(Br)cn3)C2)n1.
What is the InChIKey of 4-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-2-methoxypyrimidine?
The InChIKey is YWVXCSUCKDIUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN5O/c1-20-13-15-4-2-11(17-13)8-18-5-3-12(9-18)19-7-10(14)6-16-19/h2,4,6-7,12H,3,5,8-9H2,1H3.
What are the key properties of 4-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-2-methoxypyrimidine?
4-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-2-methoxypyrimidine has a molecular weight of 338.21 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-2-methoxypyrimidine is sourced from PubChem (CID 126946963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).