4-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-1-phenylpyrazole

C17H21BrN2 — CID 66477141

IUPAC4-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-1-phenylpyrazole
SMILESCC1(C)C(C(Br)c2cnn(-c3ccccc3)c2)C1(C)C
InChIInChI=1S/C17H21BrN2/c1-16(2)15(17(16,3)4)14(18)12-10-19-20(11-12)13-8-6-5-7-9-13/h5-11,14-15H,1-4H3
InChIKeyFIZIRMJVPFATFJ-UHFFFAOYSA-N
MW333.27 g/mol
LogP4.99
Rot. Bonds3

About 4-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-1-phenylpyrazole

4-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-1-phenylpyrazole (PubChem CID 66477141) has the molecular formula C17H21BrN2 and a molecular weight of 333.27 g/mol. Its IUPAC name is 4-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-1-phenylpyrazole.

Molecular Properties

Compound Name4-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-1-phenylpyrazole
PubChem CID66477141
Molecular FormulaC17H21BrN2
Molecular Weight333.27 g/mol
Exact Mass332.09
IUPAC Name4-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-1-phenylpyrazole
SMILESCC1(C)C(C(Br)c2cnn(-c3ccccc3)c2)C1(C)C
InChIInChI=1S/C17H21BrN2/c1-16(2)15(17(16,3)4)14(18)12-10-19-20(11-12)13-8-6-5-7-9-13/h5-11,14-15H,1-4H3
InChIKeyFIZIRMJVPFATFJ-UHFFFAOYSA-N
XLogP4.99
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-[bromo(cyclopropyl)methyl]-1-phenylpyrazole
CID 61095952
4-[bromo(cyclobutyl)methyl]-1-phenylpyrazole
CID 61096953
4-[bromo-(2,4,5-trimethyloxolan-3-yl)methyl]-1-phenylpyrazole
CID 65157974
(1-phenylpyrazol-4-yl)methanediol
CID 70397428
4-[bromo-(4-bromophenyl)methyl]-1-phenylpyrazole
CID 63441319
N,2-dimethyl-1-(1-phenylpyrazol-4-yl)propan-1-amine
CID 43486000
4-[bromo-(4-iodophenyl)methyl]-1-phenylpyrazole
CID 63441044
4-[bromo-(2-methylsulfanylphenyl)methyl]-1-phenylpyrazole
CID 79211846
1-(1-phenylpyrazol-4-yl)ethylhydrazine
CID 81470645
4-[bromo-(5-methylthiophen-2-yl)methyl]-1-phenylpyrazole
CID 61097557
4-[bromo-(2-fluorophenyl)methyl]-1-phenylpyrazole
CID 61096147
(2,2-dimethylcyclopentyl)-(1-phenylpyrazol-4-yl)methanol
CID 107181622

Frequently Asked Questions

What is the IUPAC name of 4-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-1-phenylpyrazole?
The IUPAC name of 4-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-1-phenylpyrazole (CID 66477141) is 4-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-1-phenylpyrazole.
What is the SMILES notation for 4-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-1-phenylpyrazole?
The canonical SMILES for 4-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-1-phenylpyrazole is CC1(C)C(C(Br)c2cnn(-c3ccccc3)c2)C1(C)C.
What is the InChIKey of 4-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-1-phenylpyrazole?
The InChIKey is FIZIRMJVPFATFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2/c1-16(2)15(17(16,3)4)14(18)12-10-19-20(11-12)13-8-6-5-7-9-13/h5-11,14-15H,1-4H3.
What are the key properties of 4-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-1-phenylpyrazole?
4-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-1-phenylpyrazole has a molecular weight of 333.27 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-1-phenylpyrazole is sourced from PubChem (CID 66477141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).