5-bromo-1-(cyclopropylmethyl)-3,4-dimethylpyrazole

C9H13BrN2 — CID 166837579

IUPAC5-bromo-1-(cyclopropylmethyl)-3,4-dimethylpyrazole
SMILESCc1nn(CC2CC2)c(Br)c1C
InChIInChI=1S/C9H13BrN2/c1-6-7(2)11-12(9(6)10)5-8-3-4-8/h8H,3-5H2,1-2H3
InChIKeyZTEKEXYNOJBAPO-UHFFFAOYSA-N
MW229.12 g/mol
LogP2.67
Rot. Bonds2

About 5-bromo-1-(cyclopropylmethyl)-3,4-dimethylpyrazole

5-bromo-1-(cyclopropylmethyl)-3,4-dimethylpyrazole (PubChem CID 166837579) has the molecular formula C9H13BrN2 and a molecular weight of 229.12 g/mol. Its IUPAC name is 5-bromo-1-(cyclopropylmethyl)-3,4-dimethylpyrazole.

Molecular Properties

Compound Name5-bromo-1-(cyclopropylmethyl)-3,4-dimethylpyrazole
PubChem CID166837579
Molecular FormulaC9H13BrN2
Molecular Weight229.12 g/mol
Exact Mass228.03
IUPAC Name5-bromo-1-(cyclopropylmethyl)-3,4-dimethylpyrazole
SMILESCc1nn(CC2CC2)c(Br)c1C
InChIInChI=1S/C9H13BrN2/c1-6-7(2)11-12(9(6)10)5-8-3-4-8/h8H,3-5H2,1-2H3
InChIKeyZTEKEXYNOJBAPO-UHFFFAOYSA-N
XLogP2.67
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.12
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-1-(cyclopropylmethyl)-4-[(5-iodopyrazol-1-yl)methyl]-3-methylpyrazole
CID 166560053
4-bromo-1-(cyclopentylmethyl)-3-methylpyrazol-5-amine
CID 62071409
4-(1-chloroethyl)-1-(cyclopropylmethyl)-3,5-dimethylpyrazole
CID 62731294
3,5-dibromo-1-(cyclopropylmethyl)-1,2,4-triazole
CID 95656865
1-[1-(cyclopropylmethyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine
CID 62731910
3-methyl-1-[(1-methylpiperidin-4-yl)methyl]pyrazole-4,5-diamine
CID 163564562
1-(cyclopropylmethyl)-3,6-dimethylindazole
CID 129023140
5-bromo-1-(cyclopropylmethyl)pyrazole
CID 84776026
1-[1-(cyclopropylmethyl)-3,5-dimethylpyrazol-4-yl]propan-1-one
CID 62728732
3,5-dimethyl-1-[(4-methylcyclohexyl)methyl]-4-nitrosopyrazole
CID 123436089
[1-(cyclobutylmethyl)-3,5-dimethylpyrazol-4-yl]methanol
CID 65460858
N-[1-[1-(cyclopropylmethyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-1-amine
CID 62731006

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(cyclopropylmethyl)-3,4-dimethylpyrazole?
The IUPAC name of 5-bromo-1-(cyclopropylmethyl)-3,4-dimethylpyrazole (CID 166837579) is 5-bromo-1-(cyclopropylmethyl)-3,4-dimethylpyrazole.
What is the SMILES notation for 5-bromo-1-(cyclopropylmethyl)-3,4-dimethylpyrazole?
The canonical SMILES for 5-bromo-1-(cyclopropylmethyl)-3,4-dimethylpyrazole is Cc1nn(CC2CC2)c(Br)c1C.
What is the InChIKey of 5-bromo-1-(cyclopropylmethyl)-3,4-dimethylpyrazole?
The InChIKey is ZTEKEXYNOJBAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2/c1-6-7(2)11-12(9(6)10)5-8-3-4-8/h8H,3-5H2,1-2H3.
What are the key properties of 5-bromo-1-(cyclopropylmethyl)-3,4-dimethylpyrazole?
5-bromo-1-(cyclopropylmethyl)-3,4-dimethylpyrazole has a molecular weight of 229.12 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(cyclopropylmethyl)-3,4-dimethylpyrazole is sourced from PubChem (CID 166837579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).