1-(2-bromophenyl)-5-cyclopropyl-3-ethylpyrazole

C14H15BrN2 — CID 139907319

IUPAC1-(2-bromophenyl)-5-cyclopropyl-3-ethylpyrazole
SMILESCCc1cc(C2CC2)n(-c2ccccc2Br)n1
InChIInChI=1S/C14H15BrN2/c1-2-11-9-14(10-7-8-10)17(16-11)13-6-4-3-5-12(13)15/h3-6,9-10H,2,7-8H2,1H3
InChIKeyJKGPOHIPQSSEKP-UHFFFAOYSA-N
MW291.19 g/mol
LogP4.07
Rot. Bonds3

About 1-(2-bromophenyl)-5-cyclopropyl-3-ethylpyrazole

1-(2-bromophenyl)-5-cyclopropyl-3-ethylpyrazole (PubChem CID 139907319) has the molecular formula C14H15BrN2 and a molecular weight of 291.19 g/mol. Its IUPAC name is 1-(2-bromophenyl)-5-cyclopropyl-3-ethylpyrazole.

Molecular Properties

Compound Name1-(2-bromophenyl)-5-cyclopropyl-3-ethylpyrazole
PubChem CID139907319
Molecular FormulaC14H15BrN2
Molecular Weight291.19 g/mol
Exact Mass290.04
IUPAC Name1-(2-bromophenyl)-5-cyclopropyl-3-ethylpyrazole
SMILESCCc1cc(C2CC2)n(-c2ccccc2Br)n1
InChIInChI=1S/C14H15BrN2/c1-2-11-9-14(10-7-8-10)17(16-11)13-6-4-3-5-12(13)15/h3-6,9-10H,2,7-8H2,1H3
InChIKeyJKGPOHIPQSSEKP-UHFFFAOYSA-N
XLogP4.07
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)-3-ethylpyrazol-5-amine
CID 82091920
2-[5-cyclopropyl-1-(2,3-dimethylphenyl)pyrazol-3-yl]ethanamine
CID 82088797
[1-(2-bromophenyl)-5-methylpyrazol-3-yl]methanamine
CID 82091921
2-(2-bromophenyl)-5-ethyl-1,2,4-triazol-3-amine
CID 62677527
2-[1-(2-bromophenyl)-3-cyclopropylpyrazol-5-yl]sulfanylacetic acid
CID 63354489
2-bromo-6-(3,5-diethylpyrazol-1-yl)benzenecarbothioamide
CID 114882799
N-[[2-(3,5-diethylpyrazol-1-yl)phenyl]methyl]cyclopropanamine
CID 82694815
5-cyclopropyl-1-(2-ethoxyphenyl)pyrazole-3-carboxylic acid
CID 82361939
1-(2-bromophenyl)-5-chloro-4-ethyl-3-methylpyrazole
CID 66023034
3-(bromomethyl)-1-(2-bromophenyl)-5-(3-cyclopropyloxyphenyl)pyrazole
CID 150953075
[1-(3-chlorophenyl)-5-cyclopropylpyrazol-3-yl]methanamine
CID 82086673
2-[1-(2-bromophenyl)-5-ethylpyrazol-3-yl]oxyacetic acid
CID 84606276

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-5-cyclopropyl-3-ethylpyrazole?
The IUPAC name of 1-(2-bromophenyl)-5-cyclopropyl-3-ethylpyrazole (CID 139907319) is 1-(2-bromophenyl)-5-cyclopropyl-3-ethylpyrazole.
What is the SMILES notation for 1-(2-bromophenyl)-5-cyclopropyl-3-ethylpyrazole?
The canonical SMILES for 1-(2-bromophenyl)-5-cyclopropyl-3-ethylpyrazole is CCc1cc(C2CC2)n(-c2ccccc2Br)n1.
What is the InChIKey of 1-(2-bromophenyl)-5-cyclopropyl-3-ethylpyrazole?
The InChIKey is JKGPOHIPQSSEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2/c1-2-11-9-14(10-7-8-10)17(16-11)13-6-4-3-5-12(13)15/h3-6,9-10H,2,7-8H2,1H3.
What are the key properties of 1-(2-bromophenyl)-5-cyclopropyl-3-ethylpyrazole?
1-(2-bromophenyl)-5-cyclopropyl-3-ethylpyrazole has a molecular weight of 291.19 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-5-cyclopropyl-3-ethylpyrazole is sourced from PubChem (CID 139907319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).