2-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-5-methylpyrimidine

C12H14BrN5 — CID 126947069

IUPAC2-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-5-methylpyrimidine
SMILESCc1cnc(N2CCC(n3cc(Br)cn3)C2)nc1
InChIInChI=1S/C12H14BrN5/c1-9-4-14-12(15-5-9)17-3-2-11(8-17)18-7-10(13)6-16-18/h4-7,11H,2-3,8H2,1H3
InChIKeyMHAYAJZHZQXTMO-UHFFFAOYSA-N
MW308.18 g/mol
LogP2.20
Rot. Bonds2

About 2-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-5-methylpyrimidine

2-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-5-methylpyrimidine (PubChem CID 126947069) has the molecular formula C12H14BrN5 and a molecular weight of 308.18 g/mol. Its IUPAC name is 2-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-5-methylpyrimidine.

Molecular Properties

Compound Name2-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-5-methylpyrimidine
PubChem CID126947069
Molecular FormulaC12H14BrN5
Molecular Weight308.18 g/mol
Exact Mass307.04
IUPAC Name2-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-5-methylpyrimidine
SMILESCc1cnc(N2CCC(n3cc(Br)cn3)C2)nc1
InChIInChI=1S/C12H14BrN5/c1-9-4-14-12(15-5-9)17-3-2-11(8-17)18-7-10(13)6-16-18/h4-7,11H,2-3,8H2,1H3
InChIKeyMHAYAJZHZQXTMO-UHFFFAOYSA-N
XLogP2.20
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-1,3-thiazole
CID 126946853
4-(4-bromopyrazol-1-yl)-1-methylpiperidine
CID 59599418
1-[1-[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126948247
3-(5-methylpyrimidin-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane
CID 133403698
4-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 126947072
4-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 126947061
4-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]thieno[3,2-d]pyrimidine
CID 126946921
3-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-6-methylpyridazine
CID 126901305
5-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-3-(methoxymethyl)-1,2,4-oxadiazole
CID 126947079
2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-1,3-oxazole
CID 126901538
2-[3-(2-bromoethyl)pyrrolidin-1-yl]-5-methylpyrimidine
CID 114800840
2-(4-bromopyrazol-1-yl)-5-methylpyrimidine
CID 63206200

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-5-methylpyrimidine?
The IUPAC name of 2-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-5-methylpyrimidine (CID 126947069) is 2-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-5-methylpyrimidine.
What is the SMILES notation for 2-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-5-methylpyrimidine?
The canonical SMILES for 2-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-5-methylpyrimidine is Cc1cnc(N2CCC(n3cc(Br)cn3)C2)nc1.
What is the InChIKey of 2-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-5-methylpyrimidine?
The InChIKey is MHAYAJZHZQXTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN5/c1-9-4-14-12(15-5-9)17-3-2-11(8-17)18-7-10(13)6-16-18/h4-7,11H,2-3,8H2,1H3.
What are the key properties of 2-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-5-methylpyrimidine?
2-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-5-methylpyrimidine has a molecular weight of 308.18 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-5-methylpyrimidine is sourced from PubChem (CID 126947069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).