2-(3-bromopyrazol-1-yl)-6-methylpyrimidine-4-carbonitrile

C9H6BrN5 — CID 131138320

IUPAC2-(3-bromopyrazol-1-yl)-6-methylpyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(-n2ccc(Br)n2)n1
InChIInChI=1S/C9H6BrN5/c1-6-4-7(5-11)13-9(12-6)15-3-2-8(10)14-15/h2-4H,1H3
InChIKeyIBCGJTKPZZHUGU-UHFFFAOYSA-N
MW264.09 g/mol
LogP1.60
Rot. Bonds1

About 2-(3-bromopyrazol-1-yl)-6-methylpyrimidine-4-carbonitrile

2-(3-bromopyrazol-1-yl)-6-methylpyrimidine-4-carbonitrile (PubChem CID 131138320) has the molecular formula C9H6BrN5 and a molecular weight of 264.09 g/mol. Its IUPAC name is 2-(3-bromopyrazol-1-yl)-6-methylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-(3-bromopyrazol-1-yl)-6-methylpyrimidine-4-carbonitrile
PubChem CID131138320
Molecular FormulaC9H6BrN5
Molecular Weight264.09 g/mol
Exact Mass262.98
IUPAC Name2-(3-bromopyrazol-1-yl)-6-methylpyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(-n2ccc(Br)n2)n1
InChIInChI=1S/C9H6BrN5/c1-6-4-7(5-11)13-9(12-6)15-3-2-8(10)14-15/h2-4H,1H3
InChIKeyIBCGJTKPZZHUGU-UHFFFAOYSA-N
XLogP1.60
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.09
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dimethyl-1H-pyrazol-1-yl)-5-pyrimidinecarbonitrile
CID 2766549
2-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidine
CID 30464906
4,6-Dimethyl-2-pyrazol-1-ylpyrimidine
CID 13880919
4,6-Dimethyl-2-(3-methylpyrazol-1-yl)pyrimidine
CID 13880920
2-(3-Ethyl-5-methylpyrazol-1-yl)pyrimidine
CID 13880938
2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-methylpyrimidine
CID 63810051
2-(3-Ethyl-5-methylpyrazol-1-yl)-4-methylpyrimidine
CID 76320231
5-bromo-2-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidine
CID 16423027
4-amino-2-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidine-5-carbonitrile
CID 2821074
4-Methyl-2-(3,4,5-trimethylpyrazol-1-yl)pyrimidine
CID 13880918
4,6-Dimethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine
CID 21030356
5-Bromo-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidine
CID 171530501

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromopyrazol-1-yl)-6-methylpyrimidine-4-carbonitrile?
The IUPAC name of 2-(3-bromopyrazol-1-yl)-6-methylpyrimidine-4-carbonitrile (CID 131138320) is 2-(3-bromopyrazol-1-yl)-6-methylpyrimidine-4-carbonitrile.
What is the SMILES notation for 2-(3-bromopyrazol-1-yl)-6-methylpyrimidine-4-carbonitrile?
The canonical SMILES for 2-(3-bromopyrazol-1-yl)-6-methylpyrimidine-4-carbonitrile is Cc1cc(C#N)nc(-n2ccc(Br)n2)n1.
What is the InChIKey of 2-(3-bromopyrazol-1-yl)-6-methylpyrimidine-4-carbonitrile?
The InChIKey is IBCGJTKPZZHUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrN5/c1-6-4-7(5-11)13-9(12-6)15-3-2-8(10)14-15/h2-4H,1H3.
What are the key properties of 2-(3-bromopyrazol-1-yl)-6-methylpyrimidine-4-carbonitrile?
2-(3-bromopyrazol-1-yl)-6-methylpyrimidine-4-carbonitrile has a molecular weight of 264.09 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromopyrazol-1-yl)-6-methylpyrimidine-4-carbonitrile is sourced from PubChem (CID 131138320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).